REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2xwj_1_L DATA FIRST_RESID 10 DATA SEQUENCE GScSLEGVEI KGGSFRLLQE GQALEYVcPS GFYPYPVQTR TcRSTGSWST DATA SEQUENCE LKTQDQKTVR KAEcRAIHcP RPHDFENGEY WPRSPYYNVS DEISFHcYDG DATA SEQUENCE YTLRGSANRT cQVNGRWSGQ TAIcDNGAGY cSNPGIPIGT RKVGSQYRLE DATA SEQUENCE DSVTYHcSRG LTLRGSQRRT cQEGGSWSGT EPScQDSFMY DTPQEVAEAF DATA SEQUENCE LSSLTETIEG VDAEXXXXXX XXXXXXXXXX PSGSMNIYLV LDGSGSIGAS DATA SEQUENCE DFTGAKKCLV NLIEKVASYG VKPRYGLVTY ATYPKIWVKV SEADSSNADW DATA SEQUENCE VTKQLNEINY EDHKLKSGTN TKKALQAVYS MMSWPDDVPP EGWNRTRHVI DATA SEQUENCE ILMTDGLHNM GGDPITVIDE IRDLLYIGKD RKNPREDYLD VYVFGVGPLV DATA SEQUENCE NQVNINALAS KKDNEQHVFK VKDMENLEDV FYQMIDESQS LSLcGMVWEX DATA SEQUENCE XXXXDYHKQP WQAKISVIRP SKGHEScMGA VVSEYFVLTA AHcFTVDDKE DATA SEQUENCE HSIKVSVGGE KRDLEIEVVL FHPNYNINGK KEAGIPEFYD YDVALIKLKN DATA SEQUENCE KLKYGQTIRP IcLPcTEGTT RALRLPPTTT cQQQKEELLP AQDIKALFVS DATA SEQUENCE EEEKKLTRKE VYIKNGDKKG ScERDAQYAP GYDKVKDISE VVTPRFLcTG DATA SEQUENCE GVSPYADPNT cRGDSGGPLI VHKRSRFIQV GVISWGVVDV cKNQKRQKQV DATA SEQUENCE PAHARDFHIN LFQVLPWLKE KLQDEDLGFL AA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 10 G C 0.000 174.836 174.900 -0.107 0.000 0.946 10 G CA 0.000 45.059 45.100 -0.069 0.000 0.502 11 S N -0.504 115.142 115.700 -0.090 0.000 2.525 11 S HA 0.344 4.814 4.470 -0.000 0.000 0.285 11 S C 0.767 175.267 174.600 -0.167 0.000 1.283 11 S CA -0.414 57.715 58.200 -0.119 0.000 1.072 11 S CB 0.164 63.340 63.200 -0.040 0.000 0.867 11 S HN 0.878 nan 8.310 nan 0.000 0.492 12 c N 3.600 121.982 118.600 -0.363 0.000 2.657 12 c HA 0.376 4.946 4.570 -0.000 0.000 0.420 12 c C 1.453 175.490 174.090 -0.087 0.000 1.323 12 c CA -0.466 55.590 56.329 -0.455 0.000 1.894 12 c CB -0.059 41.665 42.510 -1.309 0.000 2.681 12 c HN 0.994 nan 8.230 nan 0.000 0.613 13 S N 1.501 117.215 115.700 0.023 0.000 2.549 13 S HA 0.229 4.699 4.470 -0.000 0.000 0.279 13 S C 0.397 175.210 174.600 0.356 0.000 1.321 13 S CA -0.520 57.774 58.200 0.157 0.000 1.054 13 S CB 0.067 63.325 63.200 0.097 0.000 0.899 13 S HN 0.589 nan 8.310 nan 0.000 0.497 14 L N 4.349 125.760 121.223 0.313 0.000 2.862 14 L HA 0.255 4.595 4.340 -0.000 0.000 0.240 14 L C 0.426 177.394 176.870 0.164 0.000 1.283 14 L CA 0.107 55.125 54.840 0.296 0.000 1.117 14 L CB -0.472 41.760 42.059 0.290 0.000 1.444 14 L HN 0.652 nan 8.230 nan 0.000 0.456 15 E N 0.923 121.211 120.200 0.148 0.000 2.152 15 E HA 0.290 4.640 4.350 -0.000 0.000 0.285 15 E C 0.799 177.431 176.600 0.054 0.000 1.043 15 E CA -0.171 56.282 56.400 0.088 0.000 0.839 15 E CB 1.115 30.862 29.700 0.079 0.000 1.069 15 E HN 0.361 nan 8.360 nan 0.000 0.399 16 G N 2.654 111.465 108.800 0.018 0.000 2.372 16 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.297 16 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.297 16 G C 0.521 175.384 174.900 -0.063 0.000 1.005 16 G CA 0.605 45.696 45.100 -0.015 0.000 1.173 16 G HN 0.587 nan 8.290 nan 0.000 0.511 17 V N -3.130 116.683 119.914 -0.167 0.000 3.398 17 V HA 0.397 4.517 4.120 -0.000 0.000 0.298 17 V C 1.112 176.869 176.094 -0.561 0.000 1.496 17 V CA 0.726 62.822 62.300 -0.339 0.000 1.044 17 V CB 0.269 31.784 31.823 -0.513 0.000 0.880 17 V HN 0.654 nan 8.190 nan 0.000 0.443 18 E N 1.642 121.557 120.200 -0.476 0.000 3.196 18 E HA 0.395 4.745 4.350 -0.000 0.000 0.268 18 E C -0.638 175.927 176.600 -0.058 0.000 1.430 18 E CA -0.574 55.549 56.400 -0.463 0.000 1.176 18 E CB 1.991 31.636 29.700 -0.092 0.000 1.228 18 E HN 0.432 nan 8.360 nan 0.000 0.730 19 I N -0.512 120.080 120.570 0.036 0.000 2.686 19 I HA 0.237 4.407 4.170 -0.000 0.000 0.295 19 I C -0.496 175.594 176.117 -0.046 0.000 1.114 19 I CA -1.032 60.238 61.300 -0.050 0.000 1.038 19 I CB 2.012 39.938 38.000 -0.123 0.000 1.238 19 I HN 0.476 nan 8.210 nan 0.000 0.420 20 K N 5.549 125.896 120.400 -0.088 0.000 2.412 20 K HA 0.294 4.614 4.320 -0.000 0.000 0.281 20 K C 0.675 177.200 176.600 -0.126 0.000 1.027 20 K CA 0.974 57.208 56.287 -0.089 0.000 0.989 20 K CB 0.513 32.958 32.500 -0.091 0.000 0.935 20 K HN 0.951 nan 8.250 nan 0.000 0.475 21 G N 2.430 111.156 108.800 -0.123 0.000 2.273 21 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.280 21 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.280 21 G C 0.196 174.986 174.900 -0.185 0.000 1.047 21 G CA 0.245 45.234 45.100 -0.184 0.000 0.869 21 G HN 1.088 nan 8.290 nan 0.000 0.502 22 G N -1.759 106.990 108.800 -0.085 0.000 2.588 22 G HA2 1.023 4.983 3.960 -0.000 0.000 0.281 22 G HA3 1.023 4.983 3.960 -0.000 0.000 0.281 22 G C -0.284 174.652 174.900 0.061 0.000 1.223 22 G CA 0.871 45.953 45.100 -0.029 0.000 0.871 22 G HN 1.950 nan 8.290 nan 0.000 0.492 23 S N -1.630 114.153 115.700 0.138 0.000 2.790 23 S HA 0.911 5.381 4.470 -0.000 0.000 0.292 23 S C -1.249 173.573 174.600 0.369 0.000 1.197 23 S CA -0.219 58.112 58.200 0.218 0.000 0.851 23 S CB 1.843 65.086 63.200 0.071 0.000 1.217 23 S HN 2.231 nan 8.310 nan 0.000 0.526 24 F N -1.479 118.444 119.950 -0.046 0.000 2.773 24 F HA 0.859 5.385 4.527 -0.000 0.000 0.314 24 F C -1.402 174.313 175.800 -0.141 0.000 1.160 24 F CA -1.106 56.807 58.000 -0.145 0.000 0.920 24 F CB 0.988 39.761 39.000 -0.378 0.000 1.323 24 F HN 1.014 nan 8.300 nan 0.000 0.457 25 R N 1.699 122.069 120.500 -0.215 0.000 2.651 25 R HA 0.763 5.103 4.340 -0.000 0.000 0.278 25 R C -2.097 174.117 176.300 -0.142 0.000 1.010 25 R CA -1.041 54.906 56.100 -0.256 0.000 0.896 25 R CB 2.175 32.393 30.300 -0.137 0.000 1.211 25 R HN 0.826 nan 8.270 nan 0.000 0.456 26 L N 3.716 124.862 121.223 -0.127 0.000 2.290 26 L HA 0.451 4.791 4.340 -0.000 0.000 0.284 26 L C -0.245 176.631 176.870 0.010 0.000 1.078 26 L CA -0.556 54.277 54.840 -0.011 0.000 0.815 26 L CB 0.774 42.846 42.059 0.023 0.000 1.162 26 L HN 0.440 nan 8.230 nan 0.000 0.435 27 L N 2.942 124.195 121.223 0.049 0.000 2.279 27 L HA 0.389 4.729 4.340 -0.000 0.000 0.262 27 L C 0.163 177.069 176.870 0.060 0.000 1.019 27 L CA -0.804 54.060 54.840 0.039 0.000 0.823 27 L CB 1.593 43.671 42.059 0.031 0.000 1.358 27 L HN 0.605 nan 8.230 nan 0.000 0.432 28 Q N 0.485 120.308 119.800 0.038 0.000 2.457 28 Q HA -0.229 4.111 4.340 -0.000 0.000 0.283 28 Q C -0.578 175.447 176.000 0.040 0.000 1.234 28 Q CA 0.988 56.813 55.803 0.036 0.000 0.877 28 Q CB -1.295 27.471 28.738 0.046 0.000 1.250 28 Q HN 0.694 nan 8.270 nan 0.000 0.481 29 E N -2.821 117.400 120.200 0.036 0.000 2.416 29 E HA -0.274 4.076 4.350 -0.000 0.000 0.249 29 E C 0.663 177.294 176.600 0.050 0.000 1.124 29 E CA 0.549 56.968 56.400 0.033 0.000 0.732 29 E CB -1.784 27.928 29.700 0.020 0.000 1.286 29 E HN 0.948 nan 8.360 nan 0.000 0.394 30 G N -0.041 108.813 108.800 0.089 0.000 2.136 30 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.242 30 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.242 30 G C 0.587 175.571 174.900 0.140 0.000 0.989 30 G CA 0.480 45.670 45.100 0.150 0.000 0.682 30 G HN 0.281 nan 8.290 nan 0.000 0.522 31 Q N -0.762 119.103 119.800 0.108 0.000 2.319 31 Q HA 0.580 4.920 4.340 -0.000 0.000 0.202 31 Q C 0.964 177.064 176.000 0.168 0.000 0.896 31 Q CA 1.175 57.007 55.803 0.049 0.000 0.942 31 Q CB 0.949 29.704 28.738 0.027 0.000 1.083 31 Q HN 1.529 nan 8.270 nan 0.000 0.510 32 A N 0.654 123.675 122.820 0.335 0.000 2.594 32 A HA 0.559 4.879 4.320 -0.000 0.000 0.296 32 A C -1.634 176.111 177.584 0.267 0.000 1.056 32 A CA -0.864 51.425 52.037 0.419 0.000 0.693 32 A CB 0.754 19.880 19.000 0.211 0.000 1.278 32 A HN 0.129 nan 8.150 nan 0.000 0.408 33 L N -1.112 120.144 121.223 0.055 0.000 2.341 33 L HA 0.964 5.304 4.340 -0.000 0.000 0.267 33 L C -0.262 176.508 176.870 -0.166 0.000 1.009 33 L CA -0.578 54.174 54.840 -0.147 0.000 0.819 33 L CB 1.828 43.620 42.059 -0.445 0.000 1.323 33 L HN 0.767 nan 8.230 nan 0.000 0.425 34 E N 1.137 121.263 120.200 -0.123 0.000 2.216 34 E HA 0.368 4.718 4.350 -0.000 0.000 0.260 34 E C -1.546 175.027 176.600 -0.046 0.000 0.880 34 E CA -0.738 55.623 56.400 -0.065 0.000 0.765 34 E CB 0.941 30.647 29.700 0.011 0.000 1.174 34 E HN 0.642 nan 8.360 nan 0.000 0.417 35 Y N 2.021 122.363 120.300 0.070 0.000 2.526 35 Y HA 0.130 4.680 4.550 -0.000 0.000 0.330 35 Y C 0.203 176.148 175.900 0.076 0.000 1.156 35 Y CA -0.089 58.061 58.100 0.083 0.000 1.419 35 Y CB 0.952 39.426 38.460 0.023 0.000 1.250 35 Y HN 0.240 nan 8.280 nan 0.000 0.540 36 V N 4.195 124.243 119.914 0.224 0.000 2.284 36 V HA 0.210 4.329 4.120 -0.000 0.000 0.274 36 V C -0.488 175.672 176.094 0.111 0.000 1.023 36 V CA -0.942 61.437 62.300 0.132 0.000 0.808 36 V CB 0.341 32.206 31.823 0.071 0.000 1.035 36 V HN 0.848 nan 8.190 nan 0.000 0.445 37 c N 6.407 125.070 118.600 0.106 0.000 2.350 37 c HA 0.531 5.101 4.570 -0.000 0.000 0.348 37 c C -1.692 172.448 174.090 0.083 0.000 1.260 37 c CA -1.139 55.231 56.329 0.068 0.000 1.966 37 c CB 0.924 43.475 42.510 0.068 0.000 2.380 37 c HN 0.624 nan 8.230 nan 0.000 0.535 38 P HA 0.050 nan 4.420 nan 0.000 0.267 38 P C -0.108 177.293 177.300 0.168 0.000 1.200 38 P CA 0.272 63.422 63.100 0.084 0.000 0.772 38 P CB 0.404 32.128 31.700 0.039 0.000 0.855 39 S N 1.381 117.153 115.700 0.120 0.000 2.593 39 S HA 0.251 4.721 4.470 -0.000 0.000 0.300 39 S C 1.442 176.115 174.600 0.122 0.000 1.267 39 S CA 1.179 59.439 58.200 0.101 0.000 1.065 39 S CB -1.112 62.124 63.200 0.061 0.000 0.807 39 S HN 0.897 nan 8.310 nan 0.000 0.499 40 G N 3.179 111.990 108.800 0.019 0.000 2.195 40 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.224 40 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.224 40 G C -0.108 174.487 174.900 -0.507 0.000 0.990 40 G CA 0.049 45.027 45.100 -0.203 0.000 0.639 40 G HN 0.649 nan 8.290 nan 0.000 0.514 41 F N -0.283 119.630 119.950 -0.062 0.000 2.620 41 F HA 0.768 5.295 4.527 -0.000 0.000 0.320 41 F C -0.057 175.718 175.800 -0.043 0.000 1.069 41 F CA -1.344 56.597 58.000 -0.099 0.000 0.953 41 F CB 1.641 40.562 39.000 -0.132 0.000 1.322 41 F HN 0.267 nan 8.300 nan 0.000 0.479 42 Y N -0.743 119.550 120.300 -0.011 0.000 2.512 42 Y HA 0.794 5.344 4.550 -0.000 0.000 0.348 42 Y C -3.313 172.602 175.900 0.025 0.000 0.990 42 Y CA -3.723 54.342 58.100 -0.059 0.000 1.033 42 Y CB 1.077 39.349 38.460 -0.315 0.000 1.259 42 Y HN 0.221 nan 8.280 nan 0.000 0.461 43 P HA 0.050 nan 4.420 nan 0.000 0.264 43 P C -1.582 175.739 177.300 0.034 0.000 1.193 43 P CA 0.695 63.794 63.100 -0.002 0.000 0.763 43 P CB 0.086 31.861 31.700 0.125 0.000 0.810 44 Y N 5.936 126.069 120.300 -0.278 0.000 2.442 44 Y HA 0.418 4.968 4.550 -0.000 0.000 0.344 44 Y C -2.160 173.615 175.900 -0.209 0.000 0.976 44 Y CA -2.571 55.430 58.100 -0.165 0.000 1.040 44 Y CB 2.006 40.321 38.460 -0.243 0.000 1.228 44 Y HN 0.290 nan 8.280 nan 0.000 0.451 45 P HA -0.035 nan 4.420 nan 0.000 0.215 45 P C -0.082 177.122 177.300 -0.160 0.000 1.160 45 P CA 1.084 63.718 63.100 -0.778 0.000 0.869 45 P CB 0.116 31.376 31.700 -0.733 0.000 0.782 46 V N -1.902 117.946 119.914 -0.110 0.000 3.083 46 V HA 0.257 4.377 4.120 -0.000 0.000 0.306 46 V C 1.611 177.780 176.094 0.125 0.000 1.077 46 V CA -0.375 61.949 62.300 0.041 0.000 1.073 46 V CB 0.567 32.423 31.823 0.055 0.000 1.081 46 V HN -0.115 nan 8.190 nan 0.000 0.474 47 Q N 1.952 121.860 119.800 0.179 0.000 2.033 47 Q HA 0.094 4.434 4.340 -0.000 0.000 0.196 47 Q C 1.026 177.189 176.000 0.271 0.000 0.970 47 Q CA 1.873 57.813 55.803 0.227 0.000 0.828 47 Q CB -0.200 28.652 28.738 0.191 0.000 0.895 47 Q HN 1.151 nan 8.270 nan 0.000 0.440 48 T N -2.042 112.626 114.554 0.191 0.000 2.907 48 T HA 0.791 5.141 4.350 -0.000 0.000 0.290 48 T C -0.727 174.043 174.700 0.117 0.000 1.066 48 T CA -1.091 61.083 62.100 0.124 0.000 1.012 48 T CB 1.983 70.902 68.868 0.086 0.000 1.184 48 T HN 0.175 nan 8.240 nan 0.000 0.522 49 R N 0.276 120.811 120.500 0.058 0.000 2.744 49 R HA 0.671 5.011 4.340 -0.000 0.000 0.279 49 R C -0.516 175.944 176.300 0.267 0.000 0.977 49 R CA -0.910 55.269 56.100 0.131 0.000 0.906 49 R CB 2.229 32.564 30.300 0.058 0.000 1.197 49 R HN 0.965 nan 8.270 nan 0.000 0.463 50 T N -2.200 112.530 114.554 0.294 0.000 2.928 50 T HA 0.243 4.592 4.350 -0.000 0.000 0.284 50 T C 0.102 174.975 174.700 0.288 0.000 1.008 50 T CA -0.708 61.556 62.100 0.273 0.000 1.057 50 T CB 1.479 70.430 68.868 0.138 0.000 1.018 50 T HN 0.637 nan 8.240 nan 0.000 0.493 51 c N 4.980 123.598 118.600 0.031 0.000 2.135 51 c HA 0.424 4.994 4.570 -0.000 0.000 0.345 51 c C 0.787 174.731 174.090 -0.242 0.000 1.067 51 c CA -0.908 55.170 56.329 -0.418 0.000 1.517 51 c CB -1.749 40.335 42.510 -0.710 0.000 1.923 51 c HN 0.778 nan 8.230 nan 0.000 0.466 52 R N 3.094 123.492 120.500 -0.171 0.000 2.811 52 R HA 0.049 4.389 4.340 -0.000 0.000 0.265 52 R C 1.420 177.637 176.300 -0.138 0.000 1.026 52 R CA 0.368 56.404 56.100 -0.106 0.000 1.142 52 R CB 0.280 30.545 30.300 -0.058 0.000 1.027 52 R HN 0.891 nan 8.270 nan 0.000 0.465 53 S N -1.408 114.238 115.700 -0.089 0.000 2.754 53 S HA -0.061 4.409 4.470 -0.000 0.000 0.223 53 S C 1.228 175.785 174.600 -0.073 0.000 0.951 53 S CA 0.447 58.597 58.200 -0.083 0.000 0.954 53 S CB -0.322 62.845 63.200 -0.055 0.000 0.780 53 S HN 0.718 nan 8.310 nan 0.000 0.509 54 T N -3.586 110.922 114.554 -0.076 0.000 3.060 54 T HA 0.526 4.876 4.350 -0.000 0.000 0.249 54 T C 1.597 176.256 174.700 -0.068 0.000 1.079 54 T CA 0.582 62.648 62.100 -0.057 0.000 1.013 54 T CB -0.020 68.826 68.868 -0.038 0.000 0.975 54 T HN 0.997 nan 8.240 nan 0.000 0.518 55 G N 0.545 109.279 108.800 -0.111 0.000 2.232 55 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.226 55 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.226 55 G C 0.161 174.971 174.900 -0.151 0.000 0.996 55 G CA -0.007 45.020 45.100 -0.122 0.000 0.626 55 G HN 0.740 nan 8.290 nan 0.000 0.509 56 S N -0.271 115.352 115.700 -0.128 0.000 2.568 56 S HA 0.690 5.160 4.470 -0.000 0.000 0.302 56 S C -0.277 174.258 174.600 -0.109 0.000 1.082 56 S CA -0.705 57.449 58.200 -0.078 0.000 1.009 56 S CB 1.227 64.438 63.200 0.019 0.000 1.069 56 S HN 0.365 nan 8.310 nan 0.000 0.500 57 W N 2.111 123.411 121.300 0.001 0.000 2.093 57 W HA 0.297 4.957 4.660 -0.000 0.000 0.352 57 W C 1.000 177.522 176.519 0.005 0.000 1.294 57 W CA -0.362 56.984 57.345 0.001 0.000 1.290 57 W CB 0.184 29.639 29.460 -0.008 0.000 1.149 57 W HN 0.668 nan 8.180 nan 0.000 0.606 58 S N 0.200 116.071 115.700 0.285 0.000 2.549 58 S HA 0.066 4.536 4.470 -0.000 0.000 0.286 58 S C 0.205 174.888 174.600 0.138 0.000 1.314 58 S CA -0.712 57.585 58.200 0.162 0.000 1.062 58 S CB 0.871 64.157 63.200 0.143 0.000 0.865 58 S HN 0.508 nan 8.310 nan 0.000 0.498 59 T N 2.947 117.554 114.554 0.087 0.000 2.906 59 T HA 0.116 4.466 4.350 -0.000 0.000 0.320 59 T C 0.203 174.927 174.700 0.041 0.000 1.088 59 T CA -0.433 61.703 62.100 0.060 0.000 1.120 59 T CB -0.394 68.496 68.868 0.038 0.000 1.000 59 T HN 0.581 nan 8.240 nan 0.000 0.550 60 L N 5.612 126.844 121.223 0.014 0.000 2.462 60 L HA 0.276 4.616 4.340 -0.000 0.000 0.283 60 L C 0.640 177.482 176.870 -0.047 0.000 1.166 60 L CA -0.280 54.543 54.840 -0.028 0.000 0.964 60 L CB -0.048 41.971 42.059 -0.067 0.000 1.294 60 L HN 0.397 nan 8.230 nan 0.000 0.449 61 K N 2.387 122.767 120.400 -0.034 0.000 2.213 61 K HA 0.354 4.674 4.320 -0.000 0.000 0.270 61 K C 0.576 177.142 176.600 -0.057 0.000 1.002 61 K CA -0.295 55.973 56.287 -0.032 0.000 0.868 61 K CB 1.917 34.414 32.500 -0.005 0.000 1.093 61 K HN 0.536 nan 8.250 nan 0.000 0.454 62 T N -0.475 114.041 114.554 -0.063 0.000 3.332 62 T HA 0.062 4.412 4.350 -0.000 0.000 0.367 62 T C 1.219 175.916 174.700 -0.004 0.000 1.244 62 T CA -0.021 62.042 62.100 -0.062 0.000 0.977 62 T CB 0.324 69.170 68.868 -0.036 0.000 1.784 62 T HN 0.334 nan 8.240 nan 0.000 0.553 63 Q N 0.285 120.100 119.800 0.027 0.000 2.250 63 Q HA 0.059 4.399 4.340 -0.000 0.000 0.200 63 Q C 1.069 177.089 176.000 0.033 0.000 0.941 63 Q CA 0.868 56.692 55.803 0.034 0.000 0.872 63 Q CB -0.217 28.550 28.738 0.048 0.000 0.965 63 Q HN 0.642 nan 8.270 nan 0.000 0.480 64 D N 1.013 121.435 120.400 0.038 0.000 2.352 64 D HA 0.008 4.648 4.640 -0.000 0.000 0.236 64 D C 0.018 176.333 176.300 0.026 0.000 1.148 64 D CA 0.073 54.094 54.000 0.035 0.000 0.844 64 D CB -0.032 40.794 40.800 0.043 0.000 0.933 64 D HN 0.003 nan 8.370 nan 0.000 0.507 65 Q N 0.164 119.975 119.800 0.019 0.000 2.453 65 Q HA -0.233 4.107 4.340 -0.000 0.000 0.294 65 Q C -1.015 174.992 176.000 0.012 0.000 1.295 65 Q CA 0.730 56.540 55.803 0.012 0.000 0.853 65 Q CB -1.470 27.276 28.738 0.014 0.000 1.193 65 Q HN 0.296 nan 8.270 nan 0.000 0.461 66 K N -0.023 120.382 120.400 0.010 0.000 2.138 66 K HA 0.534 4.854 4.320 -0.000 0.000 0.263 66 K C -0.293 176.306 176.600 -0.002 0.000 0.965 66 K CA -0.570 55.724 56.287 0.012 0.000 0.868 66 K CB 1.412 33.928 32.500 0.026 0.000 1.083 66 K HN 0.035 nan 8.250 nan 0.000 0.443 67 T N 1.919 116.475 114.554 0.004 0.000 2.780 67 T HA 0.232 4.582 4.350 -0.000 0.000 0.294 67 T C -0.239 174.460 174.700 -0.001 0.000 0.949 67 T CA -0.525 61.575 62.100 -0.001 0.000 1.074 67 T CB 0.647 69.519 68.868 0.007 0.000 0.910 67 T HN 0.151 nan 8.240 nan 0.000 0.501 68 V N 5.057 124.959 119.914 -0.020 0.000 2.555 68 V HA 0.380 4.500 4.120 -0.000 0.000 0.302 68 V C 1.037 177.124 176.094 -0.012 0.000 1.038 68 V CA -0.839 61.453 62.300 -0.014 0.000 0.887 68 V CB 1.919 33.706 31.823 -0.060 0.000 0.991 68 V HN 0.806 nan 8.190 nan 0.000 0.434 69 R N 1.808 122.310 120.500 0.003 0.000 2.043 69 R HA 0.115 4.455 4.340 -0.000 0.000 0.221 69 R C 0.399 176.691 176.300 -0.014 0.000 1.196 69 R CA 0.443 56.542 56.100 -0.001 0.000 0.949 69 R CB 0.016 30.319 30.300 0.005 0.000 0.838 69 R HN 0.394 nan 8.270 nan 0.000 0.446 70 K N 1.284 121.678 120.400 -0.011 0.000 2.213 70 K HA 0.347 4.666 4.320 -0.000 0.000 0.270 70 K C -1.231 175.346 176.600 -0.039 0.000 1.002 70 K CA -0.292 55.977 56.287 -0.030 0.000 0.868 70 K CB 1.729 34.214 32.500 -0.025 0.000 1.093 70 K HN 0.238 nan 8.250 nan 0.000 0.454 71 A N 4.149 126.906 122.820 -0.104 0.000 2.401 71 A HA 0.387 4.707 4.320 -0.000 0.000 0.259 71 A C -0.689 176.812 177.584 -0.138 0.000 1.103 71 A CA -0.141 51.790 52.037 -0.177 0.000 0.789 71 A CB 0.164 18.893 19.000 -0.452 0.000 1.035 71 A HN 0.838 nan 8.150 nan 0.000 0.491 72 E N 0.374 120.532 120.200 -0.071 0.000 2.369 72 E HA 0.410 4.760 4.350 -0.000 0.000 0.270 72 E C -1.567 174.926 176.600 -0.179 0.000 0.909 72 E CA -0.752 55.576 56.400 -0.120 0.000 0.775 72 E CB 2.016 31.647 29.700 -0.116 0.000 1.270 72 E HN 0.579 nan 8.360 nan 0.000 0.445 73 c N 2.168 120.639 118.600 -0.215 0.000 2.203 73 c HA 0.369 4.939 4.570 -0.000 0.000 0.325 73 c C 0.212 174.218 174.090 -0.140 0.000 1.156 73 c CA -0.574 55.615 56.329 -0.234 0.000 1.597 73 c CB -1.145 41.209 42.510 -0.261 0.000 2.148 73 c HN 0.441 nan 8.230 nan 0.000 0.472 74 R N 1.850 122.162 120.500 -0.313 0.000 2.500 74 R HA 0.663 5.003 4.340 -0.000 0.000 0.277 74 R C 0.382 176.645 176.300 -0.062 0.000 1.026 74 R CA -0.293 55.709 56.100 -0.163 0.000 1.058 74 R CB 1.006 31.099 30.300 -0.345 0.000 1.078 74 R HN 0.765 nan 8.270 nan 0.000 0.509 75 A N 2.570 125.326 122.820 -0.106 0.000 2.386 75 A HA 0.186 4.506 4.320 -0.000 0.000 0.246 75 A C 0.352 177.630 177.584 -0.510 0.000 1.089 75 A CA -0.311 51.303 52.037 -0.704 0.000 0.790 75 A CB 0.082 18.570 19.000 -0.852 0.000 1.042 75 A HN 0.686 nan 8.150 nan 0.000 0.497 76 I N 2.134 122.367 120.570 -0.563 0.000 2.389 76 I HA 0.139 4.309 4.170 -0.000 0.000 0.295 76 I C -0.133 175.761 176.117 -0.371 0.000 1.117 76 I CA 0.218 61.276 61.300 -0.404 0.000 1.317 76 I CB -0.503 37.327 38.000 -0.282 0.000 1.431 76 I HN 0.608 nan 8.210 nan 0.000 0.521 77 H N 3.863 122.978 119.070 0.074 0.000 2.595 77 H HA 0.496 5.052 4.556 -0.000 0.000 0.346 77 H C -0.516 174.889 175.328 0.128 0.000 1.181 77 H CA -0.486 55.638 56.048 0.127 0.000 1.242 77 H CB 1.401 31.273 29.762 0.183 0.000 1.652 77 H HN 0.504 nan 8.280 nan 0.000 0.548 78 c N 2.357 121.073 118.600 0.194 0.000 2.397 78 c HA 0.369 4.939 4.570 -0.000 0.000 0.343 78 c C -2.103 172.201 174.090 0.356 0.000 1.188 78 c CA -1.569 54.766 56.329 0.009 0.000 1.992 78 c CB 1.028 43.079 42.510 -0.765 0.000 2.358 78 c HN 0.650 nan 8.230 nan 0.000 0.518 79 P HA 0.091 nan 4.420 nan 0.000 0.264 79 P C -0.629 176.988 177.300 0.529 0.000 1.183 79 P CA 0.464 63.806 63.100 0.403 0.000 0.763 79 P CB 0.292 32.179 31.700 0.311 0.000 0.807 80 R N 4.756 125.515 120.500 0.432 0.000 2.254 80 R HA 0.286 4.626 4.340 -0.000 0.000 0.318 80 R C -2.161 174.283 176.300 0.240 0.000 1.031 80 R CA -1.841 54.520 56.100 0.435 0.000 0.905 80 R CB 0.165 30.724 30.300 0.432 0.000 1.050 80 R HN 0.309 nan 8.270 nan 0.000 0.456 81 P HA 0.001 nan 4.420 nan 0.000 0.252 81 P C -0.420 176.819 177.300 -0.101 0.000 1.694 81 P CA 0.173 63.116 63.100 -0.262 0.000 1.163 81 P CB -0.388 30.834 31.700 -0.797 0.000 1.934 82 H N -0.729 118.377 119.070 0.060 0.000 2.566 82 H HA 0.342 4.898 4.556 -0.000 0.000 0.280 82 H C -0.253 175.149 175.328 0.124 0.000 1.042 82 H CA -0.370 55.753 56.048 0.125 0.000 1.168 82 H CB -0.133 29.699 29.762 0.117 0.000 1.340 82 H HN 0.044 nan 8.280 nan 0.000 0.597 83 D N 0.202 120.528 120.400 -0.124 0.000 2.614 83 D HA 0.214 4.854 4.640 -0.000 0.000 0.203 83 D C -1.958 174.385 176.300 0.071 0.000 1.312 83 D CA -0.621 53.360 54.000 -0.031 0.000 0.889 83 D CB 0.463 41.172 40.800 -0.152 0.000 1.615 83 D HN 0.193 nan 8.370 nan 0.000 0.567 84 F N 3.037 122.985 119.950 -0.003 0.000 2.605 84 F HA 0.381 4.908 4.527 -0.000 0.000 0.320 84 F C -1.171 174.661 175.800 0.053 0.000 1.159 84 F CA -0.544 57.460 58.000 0.007 0.000 0.999 84 F CB 1.464 40.505 39.000 0.068 0.000 1.258 84 F HN 0.276 nan 8.300 nan 0.000 0.464 85 E N 3.495 123.362 120.200 -0.555 0.000 2.263 85 E HA 0.451 4.801 4.350 -0.000 0.000 0.264 85 E C -0.597 175.702 176.600 -0.502 0.000 0.923 85 E CA -0.992 55.212 56.400 -0.328 0.000 0.802 85 E CB 1.261 30.843 29.700 -0.197 0.000 1.228 85 E HN 0.571 nan 8.360 nan 0.000 0.417 86 N N -0.606 117.956 118.700 -0.230 0.000 2.714 86 N HA -0.169 4.570 4.740 -0.000 0.000 0.250 86 N C -0.346 174.911 175.510 -0.422 0.000 1.117 86 N CA 1.570 54.378 53.050 -0.403 0.000 0.719 86 N CB -1.346 36.661 38.487 -0.799 0.000 1.081 86 N HN 0.880 nan 8.380 nan 0.000 0.557 87 G N -1.369 107.207 108.800 -0.374 0.000 2.428 87 G HA2 0.540 4.500 3.960 -0.000 0.000 0.305 87 G HA3 0.540 4.500 3.960 -0.000 0.000 0.305 87 G C -2.044 172.841 174.900 -0.024 0.000 1.260 87 G CA -0.220 44.667 45.100 -0.355 0.000 0.853 87 G HN 0.217 nan 8.290 nan 0.000 0.480 88 E N -1.224 119.080 120.200 0.172 0.000 2.335 88 E HA 0.598 4.947 4.350 -0.000 0.000 0.280 88 E C -1.705 174.928 176.600 0.055 0.000 0.918 88 E CA -0.846 55.632 56.400 0.129 0.000 0.765 88 E CB 1.494 31.216 29.700 0.037 0.000 1.218 88 E HN 0.834 nan 8.360 nan 0.000 0.425 89 Y N 2.671 122.841 120.300 -0.217 0.000 2.468 89 Y HA 0.933 5.483 4.550 -0.000 0.000 0.342 89 Y C -0.976 174.833 175.900 -0.153 0.000 1.021 89 Y CA -1.081 56.720 58.100 -0.498 0.000 1.079 89 Y CB 1.217 39.099 38.460 -0.962 0.000 1.226 89 Y HN 0.503 nan 8.280 nan 0.000 0.460 90 W N 1.437 122.487 121.300 -0.417 0.000 3.248 90 W HA 0.646 5.306 4.660 -0.000 0.000 0.311 90 W C -3.580 172.825 176.519 -0.190 0.000 1.258 90 W CA -2.252 54.911 57.345 -0.302 0.000 1.191 90 W CB 1.097 30.410 29.460 -0.246 0.000 1.389 90 W HN 0.443 nan 8.180 nan 0.000 0.561 91 P HA 0.395 nan 4.420 nan 0.000 0.277 91 P C -0.631 176.765 177.300 0.161 0.000 1.271 91 P CA -0.339 62.881 63.100 0.200 0.000 0.795 91 P CB 0.898 32.710 31.700 0.187 0.000 1.101 92 R N 0.410 120.953 120.500 0.072 0.000 2.387 92 R HA 0.665 5.005 4.340 -0.000 0.000 0.314 92 R C -0.661 175.623 176.300 -0.028 0.000 0.958 92 R CA -0.355 55.799 56.100 0.091 0.000 0.846 92 R CB 1.325 31.596 30.300 -0.049 0.000 1.147 92 R HN 0.454 nan 8.270 nan 0.000 0.447 93 S N 2.497 118.077 115.700 -0.200 0.000 2.569 93 S HA 0.296 4.766 4.470 -0.000 0.000 0.280 93 S C -2.110 172.236 174.600 -0.424 0.000 1.111 93 S CA -1.140 56.806 58.200 -0.423 0.000 0.887 93 S CB 2.245 65.057 63.200 -0.646 0.000 1.095 93 S HN 0.407 nan 8.310 nan 0.000 0.476 94 P HA 0.022 nan 4.420 nan 0.000 0.226 94 P C -0.668 176.619 177.300 -0.022 0.000 1.146 94 P CA 1.207 64.235 63.100 -0.120 0.000 0.773 94 P CB -0.211 31.472 31.700 -0.028 0.000 0.772 95 Y N -5.620 114.526 120.300 -0.257 0.000 2.583 95 Y HA 0.497 5.047 4.550 -0.000 0.000 0.330 95 Y C -1.731 174.046 175.900 -0.204 0.000 1.185 95 Y CA -1.955 56.038 58.100 -0.178 0.000 1.107 95 Y CB -0.053 38.275 38.460 -0.220 0.000 1.344 95 Y HN -0.291 nan 8.280 nan 0.000 0.463 96 Y N 2.726 123.258 120.300 0.387 0.000 2.356 96 Y HA 0.445 4.995 4.550 -0.000 0.000 0.334 96 Y C 0.176 176.218 175.900 0.238 0.000 0.958 96 Y CA -0.797 57.471 58.100 0.279 0.000 1.196 96 Y CB 0.962 39.624 38.460 0.337 0.000 1.137 96 Y HN 0.656 nan 8.280 nan 0.000 0.485 97 N N 0.753 119.630 118.700 0.294 0.000 2.290 97 N HA 0.166 4.906 4.740 -0.000 0.000 0.269 97 N C -0.345 175.152 175.510 -0.021 0.000 1.295 97 N CA -0.421 52.681 53.050 0.087 0.000 0.932 97 N CB 0.367 38.893 38.487 0.065 0.000 1.128 97 N HN 0.243 nan 8.380 nan 0.000 0.532 98 V N 0.548 120.407 119.914 -0.091 0.000 2.924 98 V HA 0.064 4.183 4.120 -0.000 0.000 0.305 98 V C 0.908 176.965 176.094 -0.062 0.000 1.073 98 V CA 0.235 62.471 62.300 -0.107 0.000 1.098 98 V CB 0.766 32.523 31.823 -0.110 0.000 1.000 98 V HN 0.959 nan 8.190 nan 0.000 0.484 99 S N 0.675 116.332 115.700 -0.072 0.000 3.521 99 S HA -0.194 4.275 4.470 -0.000 0.000 0.328 99 S C -0.169 174.435 174.600 0.006 0.000 1.165 99 S CA 1.059 59.241 58.200 -0.031 0.000 0.941 99 S CB -2.056 61.134 63.200 -0.016 0.000 0.951 99 S HN 0.866 nan 8.310 nan 0.000 0.539 100 D N 2.147 122.557 120.400 0.018 0.000 2.264 100 D HA 0.528 5.168 4.640 -0.000 0.000 0.250 100 D C 0.367 176.763 176.300 0.160 0.000 1.113 100 D CA -0.097 53.969 54.000 0.111 0.000 0.871 100 D CB 0.927 41.860 40.800 0.222 0.000 1.167 100 D HN 0.619 nan 8.370 nan 0.000 0.447 101 E N 1.347 121.616 120.200 0.116 0.000 2.191 101 E HA 0.612 4.962 4.350 -0.000 0.000 0.274 101 E C -0.147 176.418 176.600 -0.058 0.000 0.948 101 E CA -0.797 55.638 56.400 0.058 0.000 0.802 101 E CB 2.045 31.735 29.700 -0.017 0.000 1.137 101 E HN 0.434 nan 8.360 nan 0.000 0.397 102 I N -1.346 119.102 120.570 -0.204 0.000 2.686 102 I HA 0.570 4.740 4.170 -0.000 0.000 0.295 102 I C -0.541 175.155 176.117 -0.701 0.000 1.114 102 I CA -0.853 60.136 61.300 -0.520 0.000 1.038 102 I CB 2.224 39.799 38.000 -0.708 0.000 1.238 102 I HN 0.426 nan 8.210 nan 0.000 0.420 103 S N 3.761 118.864 115.700 -0.994 0.000 2.568 103 S HA 0.793 5.263 4.470 -0.000 0.000 0.302 103 S C -1.032 172.997 174.600 -0.951 0.000 1.082 103 S CA -0.580 57.106 58.200 -0.856 0.000 1.009 103 S CB 1.547 64.221 63.200 -0.877 0.000 1.069 103 S HN 0.518 nan 8.310 nan 0.000 0.500 104 F N 1.001 120.782 119.950 -0.281 0.000 2.522 104 F HA 0.567 5.094 4.527 -0.000 0.000 0.324 104 F C 0.462 176.287 175.800 0.041 0.000 1.077 104 F CA -0.535 57.349 58.000 -0.194 0.000 0.944 104 F CB 1.878 40.718 39.000 -0.267 0.000 1.175 104 F HN 0.739 nan 8.300 nan 0.000 0.468 105 H N 1.986 121.156 119.070 0.167 0.000 3.083 105 H HA 0.353 4.909 4.556 -0.000 0.000 0.339 105 H C -1.316 174.060 175.328 0.080 0.000 1.020 105 H CA -0.667 55.465 56.048 0.140 0.000 1.360 105 H CB 1.520 31.375 29.762 0.155 0.000 1.811 105 H HN 0.758 nan 8.280 nan 0.000 0.493 106 c N 4.053 122.499 118.600 -0.256 0.000 2.580 106 c HA 0.246 4.816 4.570 -0.000 0.000 0.371 106 c C 0.643 174.624 174.090 -0.181 0.000 1.308 106 c CA -0.436 55.778 56.329 -0.192 0.000 2.428 106 c CB -0.429 42.044 42.510 -0.061 0.000 2.529 106 c HN 0.622 nan 8.230 nan 0.000 0.657 107 Y N 0.107 120.447 120.300 0.067 0.000 2.230 107 Y HA 0.169 4.719 4.550 -0.000 0.000 0.354 107 Y C 0.931 176.975 175.900 0.240 0.000 1.343 107 Y CA 0.213 58.413 58.100 0.165 0.000 1.693 107 Y CB 0.097 38.636 38.460 0.131 0.000 1.553 107 Y HN 0.535 nan 8.280 nan 0.000 0.599 108 D N 0.037 120.692 120.400 0.426 0.000 2.383 108 D HA 0.328 4.968 4.640 -0.000 0.000 0.252 108 D C 0.931 177.367 176.300 0.228 0.000 1.166 108 D CA 1.265 55.423 54.000 0.263 0.000 0.879 108 D CB 0.657 41.569 40.800 0.187 0.000 1.164 108 D HN 0.774 nan 8.370 nan 0.000 0.462 109 G N 1.615 110.482 108.800 0.112 0.000 2.159 109 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.227 109 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.227 109 G C -0.368 174.393 174.900 -0.233 0.000 0.986 109 G CA -0.333 44.728 45.100 -0.065 0.000 0.651 109 G HN 0.441 nan 8.290 nan 0.000 0.523 110 Y N 0.548 120.876 120.300 0.046 0.000 2.446 110 Y HA 0.635 5.185 4.550 -0.000 0.000 0.345 110 Y C 0.657 176.550 175.900 -0.012 0.000 0.984 110 Y CA -0.507 57.608 58.100 0.025 0.000 1.058 110 Y CB 2.187 40.674 38.460 0.045 0.000 1.220 110 Y HN 0.059 nan 8.280 nan 0.000 0.455 111 T N 4.345 118.973 114.554 0.122 0.000 2.837 111 T HA 0.362 4.712 4.350 -0.000 0.000 0.285 111 T C -1.085 173.637 174.700 0.037 0.000 0.984 111 T CA -0.515 61.615 62.100 0.049 0.000 1.049 111 T CB 0.806 69.683 68.868 0.014 0.000 0.947 111 T HN 0.337 nan 8.240 nan 0.000 0.472 112 L N 5.279 126.506 121.223 0.006 0.000 2.262 112 L HA 0.501 4.841 4.340 -0.000 0.000 0.288 112 L C 0.214 177.073 176.870 -0.017 0.000 1.035 112 L CA -0.471 54.366 54.840 -0.005 0.000 0.820 112 L CB 0.224 42.278 42.059 -0.008 0.000 1.204 112 L HN 0.649 nan 8.230 nan 0.000 0.424 113 R N 3.925 124.404 120.500 -0.035 0.000 2.604 113 R HA 0.969 5.309 4.340 -0.000 0.000 0.287 113 R C 0.104 176.364 176.300 -0.066 0.000 0.970 113 R CA -0.149 55.923 56.100 -0.047 0.000 0.946 113 R CB 1.375 31.643 30.300 -0.054 0.000 1.127 113 R HN 0.866 nan 8.270 nan 0.000 0.473 114 G N 1.045 109.810 108.800 -0.059 0.000 2.472 114 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.205 114 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.205 114 G C -1.111 173.756 174.900 -0.055 0.000 1.270 114 G CA -0.432 44.625 45.100 -0.072 0.000 0.974 114 G HN 0.632 nan 8.290 nan 0.000 0.542 115 S N 0.796 116.456 115.700 -0.067 0.000 2.452 115 S HA 0.574 5.043 4.470 -0.000 0.000 0.284 115 S C 1.339 175.935 174.600 -0.006 0.000 1.171 115 S CA 0.651 58.833 58.200 -0.029 0.000 1.064 115 S CB 1.340 64.529 63.200 -0.019 0.000 0.967 115 S HN 1.700 nan 8.310 nan 0.000 0.484 116 A N 3.960 126.801 122.820 0.035 0.000 1.897 116 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 116 A C 0.649 178.296 177.584 0.105 0.000 1.181 116 A CA 0.862 52.956 52.037 0.095 0.000 0.620 116 A CB -0.158 18.886 19.000 0.073 0.000 0.821 116 A HN 0.656 nan 8.150 nan 0.000 0.443 117 N N 0.662 119.381 118.700 0.033 0.000 2.424 117 N HA 0.497 5.237 4.740 -0.000 0.000 0.271 117 N C -0.895 174.630 175.510 0.024 0.000 0.985 117 N CA -0.116 52.921 53.050 -0.021 0.000 0.921 117 N CB 1.235 39.694 38.487 -0.047 0.000 1.149 117 N HN 0.308 nan 8.380 nan 0.000 0.492 118 R N 0.725 121.244 120.500 0.032 0.000 2.621 118 R HA 0.585 4.925 4.340 -0.000 0.000 0.292 118 R C -0.743 175.696 176.300 0.232 0.000 0.969 118 R CA -0.702 55.474 56.100 0.127 0.000 0.887 118 R CB 1.883 32.270 30.300 0.145 0.000 1.180 118 R HN 0.335 nan 8.270 nan 0.000 0.450 119 T N 1.088 115.791 114.554 0.249 0.000 2.829 119 T HA 0.138 4.488 4.350 -0.000 0.000 0.280 119 T C -0.372 174.379 174.700 0.085 0.000 0.999 119 T CA -0.478 61.739 62.100 0.195 0.000 0.983 119 T CB 1.505 70.415 68.868 0.070 0.000 0.968 119 T HN 0.633 nan 8.240 nan 0.000 0.446 120 c N 4.941 123.424 118.600 -0.196 0.000 2.651 120 c HA 0.227 4.797 4.570 -0.000 0.000 0.410 120 c C 0.729 174.644 174.090 -0.292 0.000 1.372 120 c CA -0.044 55.915 56.329 -0.617 0.000 1.707 120 c CB -1.466 40.559 42.510 -0.808 0.000 2.501 120 c HN 0.825 nan 8.230 nan 0.000 0.598 121 Q N 3.060 122.706 119.800 -0.258 0.000 2.162 121 Q HA 0.216 4.556 4.340 -0.000 0.000 0.197 121 Q C 1.090 177.013 176.000 -0.128 0.000 1.013 121 Q CA -0.564 55.156 55.803 -0.140 0.000 1.040 121 Q CB 0.974 29.653 28.738 -0.097 0.000 1.114 121 Q HN 0.674 nan 8.270 nan 0.000 0.547 122 V N 1.311 121.190 119.914 -0.059 0.000 2.667 122 V HA -0.155 3.965 4.120 -0.000 0.000 0.252 122 V C 1.075 177.175 176.094 0.009 0.000 1.065 122 V CA 1.854 64.146 62.300 -0.014 0.000 1.083 122 V CB -0.523 31.325 31.823 0.041 0.000 0.692 122 V HN 0.795 nan 8.190 nan 0.000 0.468 123 N N 0.911 119.564 118.700 -0.077 0.000 2.413 123 N HA 0.150 4.890 4.740 -0.000 0.000 0.207 123 N C 1.228 176.559 175.510 -0.298 0.000 1.206 123 N CA 0.708 53.563 53.050 -0.324 0.000 0.832 123 N CB -0.474 37.700 38.487 -0.522 0.000 1.037 123 N HN 0.591 nan 8.380 nan 0.000 0.467 124 G N -0.139 108.586 108.800 -0.125 0.000 2.203 124 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.263 124 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.263 124 G C -0.125 174.620 174.900 -0.258 0.000 1.012 124 G CA 0.408 45.452 45.100 -0.092 0.000 0.749 124 G HN 0.571 nan 8.290 nan 0.000 0.512 125 R N -2.065 118.258 120.500 -0.295 0.000 2.888 125 R HA 0.603 4.943 4.340 -0.000 0.000 0.266 125 R C -0.792 175.318 176.300 -0.316 0.000 1.020 125 R CA -1.013 54.931 56.100 -0.261 0.000 0.963 125 R CB 1.092 31.295 30.300 -0.162 0.000 1.197 125 R HN 0.159 nan 8.270 nan 0.000 0.481 126 W N 1.064 122.323 121.300 -0.068 0.000 2.365 126 W HA 0.268 4.927 4.660 -0.000 0.000 0.316 126 W C 0.722 177.207 176.519 -0.057 0.000 1.164 126 W CA -0.285 57.023 57.345 -0.062 0.000 1.204 126 W CB 1.256 30.674 29.460 -0.070 0.000 1.213 126 W HN 0.535 nan 8.180 nan 0.000 0.539 127 S N 2.446 118.259 115.700 0.188 0.000 2.608 127 S HA 0.751 5.221 4.470 -0.000 0.000 0.261 127 S C 0.703 175.356 174.600 0.090 0.000 1.314 127 S CA 0.071 58.329 58.200 0.098 0.000 0.992 127 S CB 0.756 63.998 63.200 0.070 0.000 0.935 127 S HN 1.421 nan 8.310 nan 0.000 0.564 128 G N 0.706 109.533 108.800 0.044 0.000 2.697 128 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.240 128 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.240 128 G C -0.709 174.188 174.900 -0.005 0.000 1.346 128 G CA -0.184 44.927 45.100 0.018 0.000 0.887 128 G HN 0.874 nan 8.290 nan 0.000 0.569 129 Q N -0.755 119.023 119.800 -0.036 0.000 2.166 129 Q HA 0.585 4.925 4.340 -0.000 0.000 0.226 129 Q C 0.556 176.482 176.000 -0.124 0.000 0.989 129 Q CA -0.273 55.489 55.803 -0.068 0.000 0.966 129 Q CB 0.303 29.000 28.738 -0.068 0.000 1.173 129 Q HN 0.688 nan 8.270 nan 0.000 0.509 130 T N 1.221 115.683 114.554 -0.153 0.000 2.851 130 T HA 0.374 4.724 4.350 -0.000 0.000 0.298 130 T C -0.203 174.326 174.700 -0.286 0.000 0.977 130 T CA -0.325 61.636 62.100 -0.233 0.000 1.126 130 T CB 0.465 69.214 68.868 -0.197 0.000 0.916 130 T HN 0.541 nan 8.240 nan 0.000 0.529 131 A N 4.468 126.996 122.820 -0.488 0.000 2.354 131 A HA 0.619 4.939 4.320 -0.000 0.000 0.281 131 A C -0.074 177.367 177.584 -0.237 0.000 1.174 131 A CA -0.457 51.291 52.037 -0.483 0.000 0.828 131 A CB -0.230 18.091 19.000 -1.132 0.000 1.099 131 A HN 0.853 nan 8.150 nan 0.000 0.516 132 I N 1.772 122.253 120.570 -0.149 0.000 2.533 132 I HA 0.248 4.418 4.170 -0.000 0.000 0.290 132 I C -0.886 175.165 176.117 -0.109 0.000 1.056 132 I CA -0.465 60.745 61.300 -0.150 0.000 1.057 132 I CB 2.207 40.110 38.000 -0.162 0.000 1.240 132 I HN 0.513 nan 8.210 nan 0.000 0.423 133 c N 3.758 122.254 118.600 -0.173 0.000 2.206 133 c HA 0.396 4.965 4.570 -0.000 0.000 0.324 133 c C -0.013 174.072 174.090 -0.009 0.000 1.120 133 c CA -0.378 55.892 56.329 -0.098 0.000 1.546 133 c CB -0.654 41.734 42.510 -0.203 0.000 2.023 133 c HN 0.598 nan 8.230 nan 0.000 0.448 134 D N 1.802 122.248 120.400 0.077 0.000 2.185 134 D HA 0.295 4.935 4.640 -0.000 0.000 0.247 134 D C 0.848 177.269 176.300 0.202 0.000 1.027 134 D CA -0.263 53.809 54.000 0.119 0.000 0.861 134 D CB 1.105 41.895 40.800 -0.017 0.000 1.202 134 D HN 0.518 nan 8.370 nan 0.000 0.453 135 N N 2.118 120.916 118.700 0.163 0.000 2.356 135 N HA 0.112 4.852 4.740 -0.000 0.000 0.178 135 N C 0.948 176.428 175.510 -0.051 0.000 1.075 135 N CA 0.470 53.458 53.050 -0.104 0.000 0.889 135 N CB 0.081 38.338 38.487 -0.383 0.000 0.999 135 N HN 0.578 nan 8.380 nan 0.000 0.464 136 G N -0.291 108.517 108.800 0.013 0.000 2.326 136 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.286 136 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.286 136 G C 0.494 175.410 174.900 0.026 0.000 1.096 136 G CA 0.284 45.393 45.100 0.015 0.000 1.003 136 G HN 0.849 nan 8.290 nan 0.000 0.503 137 A N -0.988 121.874 122.820 0.070 0.000 2.456 137 A HA 0.749 5.069 4.320 -0.000 0.000 0.237 137 A C 1.360 179.021 177.584 0.128 0.000 1.217 137 A CA 1.312 53.393 52.037 0.072 0.000 0.962 137 A CB 0.500 19.534 19.000 0.057 0.000 1.079 137 A HN 1.850 nan 8.150 nan 0.000 0.536 138 G N -2.503 106.412 108.800 0.192 0.000 2.434 138 G HA2 0.381 4.341 3.960 -0.000 0.000 0.330 138 G HA3 0.381 4.341 3.960 -0.000 0.000 0.330 138 G C 0.336 175.371 174.900 0.225 0.000 1.155 138 G CA -0.373 44.885 45.100 0.263 0.000 0.917 138 G HN 0.182 nan 8.290 nan 0.000 0.493 139 Y N 0.064 120.436 120.300 0.119 0.000 2.207 139 Y HA -0.124 4.426 4.550 -0.000 0.000 0.287 139 Y C 1.294 177.216 175.900 0.037 0.000 1.156 139 Y CA 0.806 58.951 58.100 0.075 0.000 1.182 139 Y CB 0.088 38.563 38.460 0.025 0.000 0.979 139 Y HN 0.384 nan 8.280 nan 0.000 0.521 140 c N 0.745 119.434 118.600 0.148 0.000 2.435 140 c HA 0.488 5.058 4.570 -0.000 0.000 0.333 140 c C 0.240 174.459 174.090 0.216 0.000 1.202 140 c CA -0.980 55.383 56.329 0.057 0.000 1.830 140 c CB 0.794 43.143 42.510 -0.268 0.000 2.326 140 c HN 0.507 nan 8.230 nan 0.000 0.507 141 S N 2.079 117.886 115.700 0.177 0.000 2.573 141 S HA 0.026 4.496 4.470 -0.000 0.000 0.277 141 S C -0.077 174.533 174.600 0.016 0.000 1.346 141 S CA -0.222 58.028 58.200 0.082 0.000 1.034 141 S CB 0.168 63.392 63.200 0.039 0.000 0.879 141 S HN 0.775 nan 8.310 nan 0.000 0.528 142 N N 2.587 121.109 118.700 -0.297 0.000 2.414 142 N HA 0.143 4.882 4.740 -0.000 0.000 0.268 142 N C -1.677 173.564 175.510 -0.449 0.000 1.286 142 N CA -1.834 50.806 53.050 -0.683 0.000 0.896 142 N CB 0.425 38.572 38.487 -0.567 0.000 1.093 142 N HN 0.329 nan 8.380 nan 0.000 0.480 143 P HA -0.000 nan 4.420 nan 0.000 0.221 143 P C 0.315 177.450 177.300 -0.274 0.000 1.145 143 P CA 1.124 63.907 63.100 -0.529 0.000 0.795 143 P CB -0.252 30.988 31.700 -0.766 0.000 0.775 144 G N -0.296 108.354 108.800 -0.250 0.000 2.855 144 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.352 144 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.352 144 G C -0.628 174.228 174.900 -0.073 0.000 1.415 144 G CA -0.572 44.417 45.100 -0.184 0.000 0.871 144 G HN 0.188 nan 8.290 nan 0.000 0.543 145 I N 1.725 122.242 120.570 -0.089 0.000 2.495 145 I HA 0.266 4.436 4.170 -0.000 0.000 0.277 145 I C -2.197 173.891 176.117 -0.049 0.000 1.045 145 I CA -1.825 59.472 61.300 -0.005 0.000 1.135 145 I CB 1.985 39.947 38.000 -0.063 0.000 1.241 145 I HN 0.180 nan 8.210 nan 0.000 0.469 146 P HA 0.043 nan 4.420 nan 0.000 0.265 146 P C 0.083 177.316 177.300 -0.112 0.000 1.187 146 P CA 0.101 63.130 63.100 -0.119 0.000 0.766 146 P CB 0.499 32.116 31.700 -0.139 0.000 0.820 147 I N 2.241 122.717 120.570 -0.155 0.000 2.752 147 I HA -0.008 4.162 4.170 -0.000 0.000 0.286 147 I C 1.669 177.769 176.117 -0.028 0.000 1.180 147 I CA 1.367 62.568 61.300 -0.165 0.000 1.404 147 I CB -0.849 36.969 38.000 -0.304 0.000 1.389 147 I HN 0.771 nan 8.210 nan 0.000 0.549 148 G N 3.794 112.585 108.800 -0.016 0.000 2.238 148 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 148 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 148 G C 0.328 175.313 174.900 0.142 0.000 0.996 148 G CA 0.113 45.290 45.100 0.128 0.000 0.632 148 G HN 0.728 nan 8.290 nan 0.000 0.503 149 T N -2.213 112.346 114.554 0.008 0.000 2.884 149 T HA 0.719 5.069 4.350 -0.000 0.000 0.277 149 T C 0.027 174.692 174.700 -0.059 0.000 0.976 149 T CA 0.094 62.245 62.100 0.085 0.000 0.956 149 T CB 2.280 71.235 68.868 0.144 0.000 1.113 149 T HN 0.771 nan 8.240 nan 0.000 0.554 150 R N 0.402 120.968 120.500 0.110 0.000 2.569 150 R HA 0.342 4.682 4.340 -0.000 0.000 0.293 150 R C -0.940 175.348 176.300 -0.020 0.000 1.186 150 R CA -0.605 55.523 56.100 0.048 0.000 0.956 150 R CB 1.049 31.491 30.300 0.237 0.000 1.196 150 R HN 0.792 nan 8.270 nan 0.000 0.444 151 K N 3.342 123.628 120.400 -0.190 0.000 2.249 151 K HA 0.265 4.585 4.320 -0.000 0.000 0.280 151 K C -1.014 175.438 176.600 -0.247 0.000 1.033 151 K CA -0.367 55.630 56.287 -0.483 0.000 0.946 151 K CB 1.270 33.454 32.500 -0.526 0.000 1.005 151 K HN 0.294 nan 8.250 nan 0.000 0.469 152 V N 3.129 122.896 119.914 -0.245 0.000 2.305 152 V HA 0.556 4.676 4.120 -0.000 0.000 0.275 152 V C -0.197 175.827 176.094 -0.117 0.000 1.020 152 V CA -0.308 61.927 62.300 -0.107 0.000 0.811 152 V CB 0.849 32.669 31.823 -0.005 0.000 1.031 152 V HN 0.996 nan 8.190 nan 0.000 0.439 153 G N 2.840 111.571 108.800 -0.114 0.000 2.414 153 G HA2 0.127 4.087 3.960 -0.000 0.000 0.213 153 G HA3 0.127 4.087 3.960 -0.000 0.000 0.213 153 G C 0.175 174.964 174.900 -0.185 0.000 1.444 153 G CA 0.013 45.046 45.100 -0.113 0.000 1.076 153 G HN 0.782 nan 8.290 nan 0.000 0.638 154 S N 0.908 116.461 115.700 -0.246 0.000 2.486 154 S HA 0.142 4.612 4.470 -0.000 0.000 0.220 154 S C 0.819 174.898 174.600 -0.867 0.000 1.011 154 S CA 0.271 58.213 58.200 -0.430 0.000 0.921 154 S CB 0.134 63.207 63.200 -0.211 0.000 0.785 154 S HN 0.668 nan 8.310 nan 0.000 0.517 155 Q N 0.904 120.409 119.800 -0.492 0.000 2.297 155 Q HA 0.194 4.534 4.340 -0.000 0.000 0.267 155 Q C -1.008 174.822 176.000 -0.282 0.000 1.006 155 Q CA 0.001 55.590 55.803 -0.356 0.000 0.896 155 Q CB 0.317 28.984 28.738 -0.118 0.000 1.186 155 Q HN 0.581 nan 8.270 nan 0.000 0.392 156 Y N 1.077 121.512 120.300 0.225 0.000 2.734 156 Y HA 0.243 4.793 4.550 -0.000 0.000 0.278 156 Y C 0.370 176.386 175.900 0.193 0.000 1.108 156 Y CA -0.517 57.802 58.100 0.365 0.000 1.211 156 Y CB 0.183 38.895 38.460 0.421 0.000 1.182 156 Y HN 0.394 nan 8.280 nan 0.000 0.547 157 R N 0.069 120.680 120.500 0.186 0.000 2.954 157 R HA 0.244 4.584 4.340 -0.000 0.000 0.276 157 R C -0.362 175.924 176.300 -0.023 0.000 1.218 157 R CA -0.913 55.246 56.100 0.098 0.000 1.149 157 R CB 0.173 30.495 30.300 0.037 0.000 1.112 157 R HN 0.089 nan 8.270 nan 0.000 0.577 158 L N 1.381 122.513 121.223 -0.151 0.000 2.371 158 L HA 0.045 4.385 4.340 -0.000 0.000 0.272 158 L C 0.261 177.014 176.870 -0.196 0.000 1.124 158 L CA 0.789 55.440 54.840 -0.316 0.000 0.816 158 L CB 0.190 41.901 42.059 -0.579 0.000 1.129 158 L HN 0.763 nan 8.230 nan 0.000 0.448 159 E N -0.150 119.934 120.200 -0.192 0.000 3.975 159 E HA -0.249 4.101 4.350 -0.000 0.000 0.342 159 E C -0.353 176.216 176.600 -0.051 0.000 0.677 159 E CA 1.228 57.561 56.400 -0.111 0.000 1.238 159 E CB -1.045 28.601 29.700 -0.091 0.000 1.665 159 E HN 0.763 nan 8.360 nan 0.000 0.429 160 D N 0.273 120.648 120.400 -0.041 0.000 2.361 160 D HA 0.367 5.007 4.640 -0.000 0.000 0.239 160 D C 0.025 176.433 176.300 0.181 0.000 1.200 160 D CA 0.364 54.400 54.000 0.061 0.000 0.915 160 D CB 0.953 41.813 40.800 0.099 0.000 1.170 160 D HN -0.062 nan 8.370 nan 0.000 0.444 161 S N -0.912 114.933 115.700 0.242 0.000 2.627 161 S HA 0.739 5.209 4.470 -0.000 0.000 0.283 161 S C -0.914 173.830 174.600 0.241 0.000 1.127 161 S CA -0.876 57.518 58.200 0.324 0.000 0.863 161 S CB 1.919 65.227 63.200 0.180 0.000 1.121 161 S HN 0.346 nan 8.310 nan 0.000 0.479 162 V N -0.572 119.444 119.914 0.170 0.000 2.841 162 V HA 0.942 5.062 4.120 -0.000 0.000 0.310 162 V C -0.433 175.615 176.094 -0.076 0.000 1.090 162 V CA -0.813 61.463 62.300 -0.039 0.000 0.930 162 V CB 1.276 32.969 31.823 -0.216 0.000 1.014 162 V HN 0.983 nan 8.190 nan 0.000 0.425 163 T N 0.892 115.342 114.554 -0.173 0.000 2.888 163 T HA 0.815 5.165 4.350 -0.000 0.000 0.284 163 T C -1.134 173.341 174.700 -0.374 0.000 1.017 163 T CA -0.504 61.507 62.100 -0.149 0.000 1.022 163 T CB 1.619 70.466 68.868 -0.036 0.000 1.013 163 T HN 0.681 nan 8.240 nan 0.000 0.465 164 Y N -0.147 119.977 120.300 -0.293 0.000 2.485 164 Y HA 0.618 5.167 4.550 -0.000 0.000 0.345 164 Y C -0.060 175.524 175.900 -0.527 0.000 0.998 164 Y CA -0.860 57.087 58.100 -0.255 0.000 1.059 164 Y CB 2.248 40.610 38.460 -0.163 0.000 1.234 164 Y HN 0.851 nan 8.280 nan 0.000 0.461 165 H N -0.206 118.969 119.070 0.175 0.000 2.877 165 H HA 0.470 5.026 4.556 -0.000 0.000 0.347 165 H C -1.070 174.361 175.328 0.172 0.000 1.042 165 H CA -0.777 55.353 56.048 0.137 0.000 1.276 165 H CB 1.000 30.821 29.762 0.099 0.000 1.681 165 H HN 0.679 nan 8.280 nan 0.000 0.521 166 c N 1.628 120.366 118.600 0.231 0.000 2.403 166 c HA 0.440 5.010 4.570 -0.000 0.000 0.361 166 c C 0.918 175.113 174.090 0.176 0.000 1.274 166 c CA -0.520 55.933 56.329 0.207 0.000 2.433 166 c CB 0.827 43.410 42.510 0.121 0.000 2.323 166 c HN 0.863 nan 8.230 nan 0.000 0.614 167 S N 0.198 115.985 115.700 0.145 0.000 2.606 167 S HA 0.182 4.652 4.470 -0.000 0.000 0.257 167 S C 0.211 174.832 174.600 0.036 0.000 1.327 167 S CA -0.393 57.813 58.200 0.010 0.000 0.984 167 S CB 0.196 63.392 63.200 -0.007 0.000 0.941 167 S HN 0.568 nan 8.310 nan 0.000 0.576 168 R N 0.709 121.217 120.500 0.013 0.000 2.370 168 R HA 0.373 4.713 4.340 -0.000 0.000 0.309 168 R C 1.162 177.502 176.300 0.066 0.000 1.059 168 R CA 0.650 56.773 56.100 0.038 0.000 0.981 168 R CB -0.159 30.158 30.300 0.027 0.000 0.972 168 R HN 1.003 nan 8.270 nan 0.000 0.437 169 G N 2.055 110.899 108.800 0.073 0.000 2.179 169 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 169 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 169 G C -0.444 174.503 174.900 0.079 0.000 0.990 169 G CA -0.594 44.563 45.100 0.095 0.000 0.646 169 G HN 0.357 nan 8.290 nan 0.000 0.517 170 L N 1.164 122.423 121.223 0.061 0.000 2.346 170 L HA 0.728 5.068 4.340 -0.000 0.000 0.274 170 L C 0.392 177.280 176.870 0.029 0.000 1.007 170 L CA -0.497 54.365 54.840 0.037 0.000 0.818 170 L CB 2.064 44.151 42.059 0.047 0.000 1.284 170 L HN 0.045 nan 8.230 nan 0.000 0.424 171 T N 3.217 117.773 114.554 0.004 0.000 2.744 171 T HA 0.397 4.747 4.350 -0.000 0.000 0.291 171 T C -0.366 174.329 174.700 -0.010 0.000 0.957 171 T CA -0.343 61.758 62.100 0.002 0.000 1.002 171 T CB 0.710 69.574 68.868 -0.007 0.000 0.919 171 T HN 0.320 nan 8.240 nan 0.000 0.468 172 L N 4.740 125.963 121.223 -0.001 0.000 2.418 172 L HA 0.353 4.693 4.340 -0.000 0.000 0.274 172 L C 0.446 177.290 176.870 -0.044 0.000 1.135 172 L CA 0.184 55.013 54.840 -0.019 0.000 0.870 172 L CB -0.001 42.053 42.059 -0.009 0.000 1.154 172 L HN 0.536 nan 8.230 nan 0.000 0.462 173 R N 4.345 124.803 120.500 -0.069 0.000 2.460 173 R HA 0.696 5.036 4.340 -0.000 0.000 0.303 173 R C 0.274 176.508 176.300 -0.110 0.000 0.968 173 R CA 0.298 56.346 56.100 -0.086 0.000 0.889 173 R CB 0.866 31.108 30.300 -0.097 0.000 1.123 173 R HN 0.985 nan 8.270 nan 0.000 0.455 174 G N 1.797 110.536 108.800 -0.101 0.000 2.464 174 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 174 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 174 G C -1.163 173.678 174.900 -0.097 0.000 1.186 174 G CA -0.313 44.722 45.100 -0.109 0.000 1.010 174 G HN 0.619 nan 8.290 nan 0.000 0.585 175 S N 0.715 116.346 115.700 -0.115 0.000 2.525 175 S HA 0.492 4.962 4.470 -0.000 0.000 0.290 175 S C 1.065 175.617 174.600 -0.080 0.000 1.152 175 S CA 0.515 58.668 58.200 -0.078 0.000 1.072 175 S CB 1.654 64.825 63.200 -0.049 0.000 1.027 175 S HN 0.991 nan 8.310 nan 0.000 0.500 176 Q N 1.772 121.556 119.800 -0.028 0.000 2.408 176 Q HA 0.192 4.532 4.340 -0.000 0.000 0.205 176 Q C 0.499 176.538 176.000 0.065 0.000 0.919 176 Q CA 0.449 56.248 55.803 -0.006 0.000 0.932 176 Q CB 0.329 29.035 28.738 -0.054 0.000 1.058 176 Q HN 0.532 nan 8.270 nan 0.000 0.517 177 R N 0.223 120.765 120.500 0.070 0.000 2.538 177 R HA 0.515 4.855 4.340 -0.000 0.000 0.292 177 R C -1.443 174.937 176.300 0.133 0.000 1.008 177 R CA -0.620 55.542 56.100 0.103 0.000 0.896 177 R CB 1.300 31.640 30.300 0.067 0.000 1.187 177 R HN 0.097 nan 8.270 nan 0.000 0.440 178 R N 2.438 123.059 120.500 0.203 0.000 2.513 178 R HA 0.367 4.707 4.340 -0.000 0.000 0.301 178 R C -1.076 175.517 176.300 0.489 0.000 0.968 178 R CA -0.898 55.376 56.100 0.290 0.000 0.872 178 R CB 2.654 33.112 30.300 0.264 0.000 1.177 178 R HN 0.513 nan 8.270 nan 0.000 0.444 179 T N 1.412 116.204 114.554 0.397 0.000 2.794 179 T HA 0.088 4.438 4.350 -0.000 0.000 0.280 179 T C -0.195 174.541 174.700 0.061 0.000 0.987 179 T CA -0.433 61.836 62.100 0.282 0.000 0.993 179 T CB 1.273 70.210 68.868 0.115 0.000 0.939 179 T HN 0.625 nan 8.240 nan 0.000 0.449 180 c N 5.942 124.290 118.600 -0.421 0.000 2.663 180 c HA 0.155 4.725 4.570 -0.000 0.000 0.379 180 c C 0.814 174.672 174.090 -0.387 0.000 1.255 180 c CA -0.270 55.496 56.329 -0.939 0.000 1.503 180 c CB -2.019 39.742 42.510 -1.248 0.000 2.187 180 c HN 0.774 nan 8.230 nan 0.000 0.580 181 Q N 2.617 122.272 119.800 -0.241 0.000 2.382 181 Q HA 0.189 4.528 4.340 -0.000 0.000 0.229 181 Q C 0.167 176.127 176.000 -0.066 0.000 1.006 181 Q CA -0.098 55.636 55.803 -0.115 0.000 0.916 181 Q CB 0.870 29.579 28.738 -0.048 0.000 1.235 181 Q HN 0.781 nan 8.270 nan 0.000 0.512 182 E N -0.182 119.987 120.200 -0.050 0.000 2.417 182 E HA 0.113 4.463 4.350 -0.000 0.000 0.261 182 E C 0.095 176.751 176.600 0.094 0.000 1.000 182 E CA 0.749 57.153 56.400 0.007 0.000 0.919 182 E CB -0.080 29.593 29.700 -0.045 0.000 0.955 182 E HN 0.807 nan 8.360 nan 0.000 0.455 183 G N 2.863 111.801 108.800 0.231 0.000 2.148 183 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.157 183 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.157 183 G C 0.552 175.453 174.900 0.002 0.000 1.012 183 G CA -0.144 45.011 45.100 0.091 0.000 0.677 183 G HN 1.315 nan 8.290 nan 0.000 0.506 184 G N -0.710 108.096 108.800 0.010 0.000 2.392 184 G HA2 0.370 4.330 3.960 -0.000 0.000 0.290 184 G HA3 0.370 4.330 3.960 -0.000 0.000 0.290 184 G C 0.275 175.122 174.900 -0.089 0.000 1.032 184 G CA 1.260 46.265 45.100 -0.159 0.000 1.269 184 G HN 2.532 nan 8.290 nan 0.000 0.511 185 S N -0.975 114.663 115.700 -0.104 0.000 2.570 185 S HA 0.565 5.035 4.470 -0.000 0.000 0.286 185 S C -0.753 173.790 174.600 -0.094 0.000 1.143 185 S CA -1.094 57.077 58.200 -0.049 0.000 0.921 185 S CB 0.786 63.981 63.200 -0.009 0.000 1.108 185 S HN 0.819 nan 8.310 nan 0.000 0.456 186 W N 3.096 124.415 121.300 0.031 0.000 2.315 186 W HA 0.565 5.225 4.660 -0.000 0.000 0.316 186 W C 1.194 177.726 176.519 0.022 0.000 1.211 186 W CA -0.008 57.361 57.345 0.040 0.000 1.201 186 W CB 1.236 30.722 29.460 0.042 0.000 1.184 186 W HN 0.888 nan 8.180 nan 0.000 0.544 187 S N 2.672 118.520 115.700 0.247 0.000 2.589 187 S HA 0.698 5.168 4.470 -0.000 0.000 0.265 187 S C 0.809 175.488 174.600 0.132 0.000 1.342 187 S CA 0.045 58.331 58.200 0.143 0.000 1.005 187 S CB 0.676 63.939 63.200 0.105 0.000 0.909 187 S HN 1.413 nan 8.310 nan 0.000 0.555 188 G N 0.213 109.053 108.800 0.066 0.000 2.645 188 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.246 188 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.246 188 G C -0.057 174.852 174.900 0.016 0.000 1.322 188 G CA 0.041 45.158 45.100 0.028 0.000 0.898 188 G HN 1.518 nan 8.290 nan 0.000 0.573 189 T N -0.941 113.597 114.554 -0.027 0.000 2.926 189 T HA 0.557 4.907 4.350 -0.000 0.000 0.289 189 T C 0.039 174.662 174.700 -0.127 0.000 1.054 189 T CA 0.520 62.588 62.100 -0.053 0.000 1.015 189 T CB 1.581 70.422 68.868 -0.045 0.000 1.167 189 T HN 0.833 nan 8.240 nan 0.000 0.526 190 E N 2.392 122.500 120.200 -0.153 0.000 2.366 190 E HA 0.248 4.598 4.350 -0.000 0.000 0.266 190 E C -2.132 174.291 176.600 -0.295 0.000 1.015 190 E CA -1.522 54.727 56.400 -0.252 0.000 0.906 190 E CB 0.546 30.125 29.700 -0.203 0.000 0.979 190 E HN 0.297 nan 8.360 nan 0.000 0.443 191 P HA 0.020 nan 4.420 nan 0.000 0.271 191 P C -1.413 175.727 177.300 -0.266 0.000 1.244 191 P CA -0.124 62.733 63.100 -0.405 0.000 0.793 191 P CB 0.666 31.956 31.700 -0.684 0.000 0.984 192 S N -1.493 114.101 115.700 -0.178 0.000 2.428 192 S HA 0.177 4.647 4.470 -0.000 0.000 0.269 192 S C -0.866 173.688 174.600 -0.076 0.000 1.026 192 S CA -0.855 57.275 58.200 -0.117 0.000 1.019 192 S CB -0.943 62.188 63.200 -0.115 0.000 1.191 192 S HN 0.407 nan 8.310 nan 0.000 0.429 193 c N 5.021 123.599 118.600 -0.036 0.000 2.657 193 c HA 0.378 4.948 4.570 -0.000 0.000 0.404 193 c C 0.666 174.731 174.090 -0.041 0.000 1.369 193 c CA -0.099 56.224 56.329 -0.009 0.000 1.665 193 c CB -1.006 41.534 42.510 0.051 0.000 2.453 193 c HN 0.748 nan 8.230 nan 0.000 0.599 194 Q N 2.341 122.101 119.800 -0.066 0.000 2.248 194 Q HA 0.406 4.746 4.340 -0.000 0.000 0.263 194 Q C 0.057 175.970 176.000 -0.145 0.000 1.007 194 Q CA -0.401 55.328 55.803 -0.123 0.000 0.877 194 Q CB 2.005 30.674 28.738 -0.115 0.000 1.315 194 Q HN 0.709 nan 8.270 nan 0.000 0.454 195 D N 0.129 120.362 120.400 -0.279 0.000 2.871 195 D HA 0.214 4.854 4.640 -0.000 0.000 0.223 195 D C -0.004 176.141 176.300 -0.258 0.000 1.225 195 D CA 0.142 53.954 54.000 -0.313 0.000 1.188 195 D CB 0.686 41.110 40.800 -0.627 0.000 1.105 195 D HN 0.458 nan 8.370 nan 0.000 0.444 196 S N -0.576 114.929 115.700 -0.326 0.000 2.901 196 S HA 0.324 4.794 4.470 -0.000 0.000 0.248 196 S C -0.214 174.444 174.600 0.095 0.000 1.021 196 S CA -0.620 57.557 58.200 -0.039 0.000 1.090 196 S CB -0.642 62.636 63.200 0.131 0.000 1.039 196 S HN 0.452 nan 8.310 nan 0.000 0.514 197 F N -2.726 117.193 119.950 -0.052 0.000 3.301 197 F HA 0.442 4.969 4.527 -0.000 0.000 0.381 197 F C 0.908 176.723 175.800 0.025 0.000 1.186 197 F CA -0.716 57.291 58.000 0.013 0.000 0.840 197 F CB -0.684 38.239 39.000 -0.129 0.000 1.710 197 F HN 0.111 nan 8.300 nan 0.000 0.489 198 M N 1.134 120.479 119.600 -0.426 0.000 2.200 198 M HA 0.026 4.506 4.480 -0.000 0.000 0.265 198 M C 0.998 176.908 176.300 -0.650 0.000 1.066 198 M CA 1.669 56.661 55.300 -0.513 0.000 1.127 198 M CB -0.601 31.709 32.600 -0.482 0.000 1.379 198 M HN 0.426 nan 8.290 nan 0.000 0.420 199 Y N -0.520 119.759 120.300 -0.034 0.000 3.187 199 Y HA -0.333 4.216 4.550 -0.000 0.000 0.359 199 Y C -0.863 175.058 175.900 0.036 0.000 1.065 199 Y CA -0.139 57.978 58.100 0.027 0.000 1.245 199 Y CB -1.447 37.050 38.460 0.063 0.000 0.965 199 Y HN 0.234 nan 8.280 nan 0.000 0.597 200 D N -0.103 120.562 120.400 0.441 0.000 2.890 200 D HA 0.318 4.958 4.640 -0.000 0.000 0.233 200 D C -0.667 175.861 176.300 0.380 0.000 1.306 200 D CA 0.085 54.260 54.000 0.292 0.000 0.929 200 D CB 1.709 42.655 40.800 0.244 0.000 1.512 200 D HN 0.864 nan 8.370 nan 0.000 0.568 201 T N -0.382 114.357 114.554 0.309 0.000 2.932 201 T HA 0.140 4.490 4.350 -0.000 0.000 0.312 201 T C -1.674 173.124 174.700 0.164 0.000 1.071 201 T CA -0.861 61.386 62.100 0.244 0.000 1.128 201 T CB 1.093 70.070 68.868 0.182 0.000 0.984 201 T HN -0.009 nan 8.240 nan 0.000 0.549 202 P HA -0.173 nan 4.420 nan 0.000 0.217 202 P C 1.626 178.961 177.300 0.058 0.000 1.148 202 P CA 1.230 64.378 63.100 0.081 0.000 0.834 202 P CB 0.066 31.806 31.700 0.066 0.000 0.783 203 Q N -0.151 119.689 119.800 0.066 0.000 2.049 203 Q HA -0.162 4.177 4.340 -0.000 0.000 0.198 203 Q C 2.051 178.091 176.000 0.067 0.000 0.971 203 Q CA 1.257 57.091 55.803 0.052 0.000 0.833 203 Q CB -0.294 28.474 28.738 0.049 0.000 0.896 203 Q HN 0.241 nan 8.270 nan 0.000 0.434 204 E N -0.379 119.878 120.200 0.095 0.000 2.118 204 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 204 E C 2.022 178.731 176.600 0.181 0.000 0.992 204 E CA 1.531 58.002 56.400 0.119 0.000 0.804 204 E CB 0.091 29.861 29.700 0.117 0.000 0.741 204 E HN 0.220 nan 8.360 nan 0.000 0.458 205 V N 1.129 121.152 119.914 0.182 0.000 2.283 205 V HA -0.222 3.898 4.120 -0.000 0.000 0.243 205 V C 2.321 178.413 176.094 -0.003 0.000 1.039 205 V CA 1.807 64.218 62.300 0.184 0.000 1.016 205 V CB -0.723 31.154 31.823 0.089 0.000 0.650 205 V HN 0.314 nan 8.190 nan 0.000 0.449 206 A N -0.313 122.465 122.820 -0.070 0.000 1.972 206 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 206 A C 2.154 179.742 177.584 0.006 0.000 1.169 206 A CA 2.125 54.089 52.037 -0.122 0.000 0.635 206 A CB -0.463 18.455 19.000 -0.137 0.000 0.810 206 A HN 0.549 nan 8.150 nan 0.000 0.446 207 E N -0.170 120.059 120.200 0.047 0.000 2.107 207 E HA 0.070 4.420 4.350 -0.000 0.000 0.191 207 E C 1.945 178.598 176.600 0.088 0.000 0.982 207 E CA 1.281 57.715 56.400 0.057 0.000 0.809 207 E CB -0.319 29.412 29.700 0.052 0.000 0.756 207 E HN 0.476 nan 8.360 nan 0.000 0.459 208 A N -0.779 122.140 122.820 0.164 0.000 2.072 208 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 208 A C 1.906 179.658 177.584 0.280 0.000 1.156 208 A CA 0.467 52.627 52.037 0.206 0.000 0.701 208 A CB -0.551 18.607 19.000 0.264 0.000 0.816 208 A HN 0.392 nan 8.150 nan 0.000 0.458 209 F N 0.431 120.437 119.950 0.093 0.000 2.149 209 F HA 0.034 4.561 4.527 -0.000 0.000 0.294 209 F C 1.796 177.539 175.800 -0.095 0.000 1.095 209 F CA 1.378 59.357 58.000 -0.034 0.000 1.276 209 F CB -0.140 38.611 39.000 -0.414 0.000 1.023 209 F HN 0.114 nan 8.300 nan 0.000 0.480 210 L N -0.004 121.204 121.223 -0.024 0.000 2.056 210 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 210 L C 2.652 179.453 176.870 -0.115 0.000 1.078 210 L CA 1.396 56.176 54.840 -0.100 0.000 0.749 210 L CB -1.045 41.020 42.059 0.011 0.000 0.901 210 L HN 0.279 nan 8.230 nan 0.000 0.433 211 S N -2.081 113.587 115.700 -0.053 0.000 2.469 211 S HA -0.162 4.308 4.470 -0.000 0.000 0.238 211 S C 1.943 176.502 174.600 -0.069 0.000 0.998 211 S CA 1.332 59.502 58.200 -0.049 0.000 0.957 211 S CB -0.140 63.049 63.200 -0.018 0.000 0.764 211 S HN 0.360 nan 8.310 nan 0.000 0.514 212 S N -0.469 115.175 115.700 -0.095 0.000 2.506 212 S HA 0.316 4.786 4.470 -0.000 0.000 0.219 212 S C 1.269 175.835 174.600 -0.057 0.000 1.031 212 S CA -0.012 58.143 58.200 -0.076 0.000 0.911 212 S CB -0.147 62.989 63.200 -0.106 0.000 0.812 212 S HN 0.415 nan 8.310 nan 0.000 0.497 213 L N 1.975 123.066 121.223 -0.221 0.000 2.189 213 L HA 0.200 4.540 4.340 -0.000 0.000 0.199 213 L C 2.587 179.345 176.870 -0.187 0.000 1.074 213 L CA 2.472 57.160 54.840 -0.254 0.000 0.783 213 L CB -1.270 40.392 42.059 -0.661 0.000 0.955 213 L HN 0.454 nan 8.230 nan 0.000 0.460 214 T N -2.999 111.427 114.554 -0.215 0.000 2.699 214 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 214 T C 1.836 176.430 174.700 -0.177 0.000 1.036 214 T CA 1.521 63.478 62.100 -0.238 0.000 1.147 214 T CB -0.649 68.084 68.868 -0.224 0.000 0.862 214 T HN 0.416 nan 8.240 nan 0.000 0.446 215 E N 1.298 121.422 120.200 -0.127 0.000 2.153 215 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 215 E C 1.887 178.431 176.600 -0.092 0.000 0.988 215 E CA 1.419 57.759 56.400 -0.100 0.000 0.811 215 E CB -0.577 29.076 29.700 -0.079 0.000 0.746 215 E HN 0.641 nan 8.360 nan 0.000 0.466 216 T N 0.516 115.023 114.554 -0.078 0.000 3.160 216 T HA 0.120 4.470 4.350 -0.000 0.000 0.257 216 T C 1.752 176.400 174.700 -0.086 0.000 1.147 216 T CA 0.269 62.331 62.100 -0.064 0.000 1.064 216 T CB 0.128 68.996 68.868 0.000 0.000 0.949 216 T HN 0.170 nan 8.240 nan 0.000 0.526 217 I N 0.129 120.630 120.570 -0.116 0.000 3.172 217 I HA 0.103 4.273 4.170 -0.000 0.000 0.278 217 I C 2.292 178.335 176.117 -0.123 0.000 1.174 217 I CA 0.385 61.607 61.300 -0.131 0.000 1.445 217 I CB 0.014 37.897 38.000 -0.195 0.000 1.175 217 I HN 0.153 nan 8.210 nan 0.000 0.447 218 E N 1.548 121.672 120.200 -0.127 0.000 2.085 218 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 218 E C 2.247 178.802 176.600 -0.075 0.000 0.994 218 E CA 1.457 57.797 56.400 -0.100 0.000 0.801 218 E CB -0.310 29.332 29.700 -0.096 0.000 0.743 218 E HN 0.558 nan 8.360 nan 0.000 0.453 219 G N 0.816 109.567 108.800 -0.081 0.000 2.443 219 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.219 219 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.219 219 G C 1.703 176.556 174.900 -0.077 0.000 1.131 219 G CA 0.387 45.441 45.100 -0.075 0.000 0.775 219 G HN 0.110 nan 8.290 nan 0.000 0.547 220 V N 1.340 121.203 119.914 -0.085 0.000 2.490 220 V HA -0.087 4.033 4.120 -0.000 0.000 0.250 220 V C 0.740 176.809 176.094 -0.042 0.000 1.061 220 V CA 1.307 63.565 62.300 -0.070 0.000 1.064 220 V CB -0.356 31.424 31.823 -0.072 0.000 0.670 220 V HN 0.240 nan 8.190 nan 0.000 0.461 221 D N 1.600 121.977 120.400 -0.039 0.000 2.551 221 D HA 0.487 5.127 4.640 -0.000 0.000 0.223 221 D C 0.205 176.500 176.300 -0.007 0.000 1.144 221 D CA 0.629 54.617 54.000 -0.019 0.000 1.025 221 D CB 0.251 41.040 40.800 -0.019 0.000 1.085 221 D HN 0.396 nan 8.370 nan 0.000 0.506 222 A N 2.725 125.544 122.820 -0.002 0.000 2.893 222 A HA 0.339 4.659 4.320 -0.000 0.000 0.298 222 A C 0.168 177.760 177.584 0.014 0.000 1.227 222 A CA -0.705 51.338 52.037 0.011 0.000 0.845 222 A CB -0.027 18.981 19.000 0.014 0.000 1.430 222 A HN 0.274 nan 8.150 nan 0.000 0.493 241 S N -0.019 115.692 115.700 0.018 0.000 2.569 241 S HA 0.798 5.268 4.470 -0.000 0.000 0.280 241 S C 0.170 174.777 174.600 0.011 0.000 1.111 241 S CA 0.087 58.296 58.200 0.015 0.000 0.887 241 S CB 2.054 65.261 63.200 0.012 0.000 1.095 241 S HN 1.258 nan 8.310 nan 0.000 0.476 242 G N 1.021 109.822 108.800 0.002 0.000 2.181 242 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.152 242 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.152 242 G C 0.146 175.037 174.900 -0.015 0.000 1.026 242 G CA 0.064 45.161 45.100 -0.004 0.000 0.699 242 G HN 1.116 nan 8.290 nan 0.000 0.497 243 S N -0.967 114.718 115.700 -0.025 0.000 2.561 243 S HA 0.692 5.162 4.470 -0.000 0.000 0.245 243 S C 0.304 174.865 174.600 -0.064 0.000 1.001 243 S CA 0.218 58.401 58.200 -0.029 0.000 1.002 243 S CB 0.330 63.521 63.200 -0.014 0.000 0.805 243 S HN 0.982 nan 8.310 nan 0.000 0.458 244 M N 1.928 121.472 119.600 -0.094 0.000 2.322 244 M HA 0.507 4.987 4.480 -0.000 0.000 0.286 244 M C -2.338 173.845 176.300 -0.194 0.000 1.111 244 M CA -0.376 54.840 55.300 -0.140 0.000 0.941 244 M CB 1.733 34.267 32.600 -0.110 0.000 1.671 244 M HN 0.007 nan 8.290 nan 0.000 0.470 245 N N 4.950 123.505 118.700 -0.241 0.000 2.362 245 N HA 0.616 5.356 4.740 -0.000 0.000 0.298 245 N C -1.422 173.838 175.510 -0.417 0.000 1.048 245 N CA -0.234 52.601 53.050 -0.358 0.000 0.858 245 N CB 1.933 40.216 38.487 -0.340 0.000 1.218 245 N HN 0.637 nan 8.380 nan 0.000 0.488 246 I N 2.655 122.902 120.570 -0.539 0.000 2.382 246 I HA 0.249 4.419 4.170 -0.000 0.000 0.285 246 I C -0.906 175.067 176.117 -0.240 0.000 1.007 246 I CA -0.732 60.379 61.300 -0.315 0.000 1.142 246 I CB 0.578 38.363 38.000 -0.358 0.000 1.289 246 I HN 0.339 nan 8.210 nan 0.000 0.453 247 Y N 6.501 126.913 120.300 0.186 0.000 2.454 247 Y HA 0.413 4.963 4.550 -0.000 0.000 0.345 247 Y C 0.060 176.098 175.900 0.229 0.000 0.970 247 Y CA -0.660 57.565 58.100 0.208 0.000 1.204 247 Y CB 0.689 39.264 38.460 0.192 0.000 1.122 247 Y HN 0.370 nan 8.280 nan 0.000 0.514 248 L N 5.236 126.660 121.223 0.334 0.000 2.302 248 L HA 0.350 4.690 4.340 -0.000 0.000 0.285 248 L C -0.622 176.404 176.870 0.260 0.000 1.090 248 L CA -0.682 54.318 54.840 0.267 0.000 0.866 248 L CB 0.278 42.452 42.059 0.191 0.000 1.244 248 L HN 0.373 nan 8.230 nan 0.000 0.435 249 V N 4.884 124.964 119.914 0.277 0.000 2.318 249 V HA 0.240 4.360 4.120 -0.000 0.000 0.271 249 V C 0.049 176.325 176.094 0.303 0.000 1.030 249 V CA -0.415 62.064 62.300 0.298 0.000 0.844 249 V CB 1.589 33.575 31.823 0.270 0.000 1.015 249 V HN 0.400 nan 8.190 nan 0.000 0.460 250 L N 4.509 125.893 121.223 0.268 0.000 2.309 250 L HA 0.625 4.965 4.340 -0.000 0.000 0.282 250 L C -0.224 176.744 176.870 0.164 0.000 1.036 250 L CA 0.041 54.986 54.840 0.175 0.000 0.806 250 L CB 1.573 43.652 42.059 0.034 0.000 1.220 250 L HN 0.603 nan 8.230 nan 0.000 0.429 251 D N 2.702 123.147 120.400 0.076 0.000 2.280 251 D HA 0.457 5.097 4.640 -0.000 0.000 0.243 251 D C 0.520 176.845 176.300 0.042 0.000 1.129 251 D CA -0.017 53.828 54.000 -0.259 0.000 0.848 251 D CB 1.613 42.330 40.800 -0.137 0.000 1.107 251 D HN 0.695 nan 8.370 nan 0.000 0.471 252 G N 2.204 110.880 108.800 -0.207 0.000 3.899 252 G HA2 0.150 4.110 3.960 -0.000 0.000 0.293 252 G HA3 0.150 4.110 3.960 -0.000 0.000 0.293 252 G C 0.411 175.095 174.900 -0.359 0.000 1.054 252 G CA -0.140 44.823 45.100 -0.228 0.000 0.846 252 G HN 0.500 nan 8.290 nan 0.000 0.525 253 S N -0.901 114.661 115.700 -0.231 0.000 2.580 253 S HA 0.369 4.839 4.470 -0.000 0.000 0.266 253 S C 1.539 176.120 174.600 -0.031 0.000 1.354 253 S CA 0.326 58.435 58.200 -0.151 0.000 1.008 253 S CB 1.559 64.707 63.200 -0.086 0.000 0.898 253 S HN 0.311 nan 8.310 nan 0.000 0.555 254 G N -0.226 108.566 108.800 -0.013 0.000 3.026 254 G HA2 0.122 4.081 3.960 -0.000 0.000 0.208 254 G HA3 0.122 4.081 3.960 -0.000 0.000 0.208 254 G C 0.909 175.882 174.900 0.122 0.000 1.169 254 G CA 0.209 45.362 45.100 0.089 0.000 0.788 254 G HN 0.937 nan 8.290 nan 0.000 0.533 255 S N -0.821 114.938 115.700 0.099 0.000 2.557 255 S HA 0.325 4.795 4.470 -0.000 0.000 0.223 255 S C 1.558 176.219 174.600 0.102 0.000 0.969 255 S CA -0.339 57.914 58.200 0.087 0.000 0.927 255 S CB 0.053 63.292 63.200 0.065 0.000 0.806 255 S HN 0.291 nan 8.310 nan 0.000 0.489 256 I N 0.994 121.648 120.570 0.140 0.000 3.443 256 I HA 0.390 4.560 4.170 -0.000 0.000 0.277 256 I C 1.200 177.341 176.117 0.040 0.000 1.169 256 I CA 0.578 61.953 61.300 0.125 0.000 1.419 256 I CB -0.003 38.117 38.000 0.200 0.000 1.331 256 I HN 0.514 nan 8.210 nan 0.000 0.458 257 G N 0.943 109.716 108.800 -0.046 0.000 2.788 257 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.686 257 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.686 257 G C 0.449 174.895 174.900 -0.756 0.000 1.147 257 G CA -0.325 44.570 45.100 -0.342 0.000 0.755 257 G HN 0.353 nan 8.290 nan 0.000 0.634 258 A N 1.182 123.354 122.820 -1.079 0.000 2.024 258 A HA 0.138 4.458 4.320 -0.000 0.000 0.220 258 A C 2.781 180.215 177.584 -0.251 0.000 1.164 258 A CA 2.951 54.508 52.037 -0.802 0.000 0.643 258 A CB -0.533 18.197 19.000 -0.450 0.000 0.806 258 A HN 2.117 nan 8.150 nan 0.000 0.451 259 S N 0.006 115.590 115.700 -0.193 0.000 2.343 259 S HA -0.172 4.298 4.470 -0.000 0.000 0.219 259 S C 1.436 176.006 174.600 -0.050 0.000 1.033 259 S CA 1.697 59.845 58.200 -0.087 0.000 1.014 259 S CB -0.430 62.730 63.200 -0.067 0.000 0.915 259 S HN 0.572 nan 8.310 nan 0.000 0.435 260 D N -0.227 120.151 120.400 -0.037 0.000 2.363 260 D HA 0.105 4.745 4.640 -0.000 0.000 0.226 260 D C 1.139 177.456 176.300 0.028 0.000 1.020 260 D CA 0.230 54.228 54.000 -0.002 0.000 0.892 260 D CB -0.146 40.667 40.800 0.022 0.000 0.900 260 D HN 0.478 nan 8.370 nan 0.000 0.531 261 F N 1.251 121.132 119.950 -0.115 0.000 2.222 261 F HA -0.107 4.420 4.527 -0.000 0.000 0.285 261 F C 2.455 178.220 175.800 -0.058 0.000 1.068 261 F CA 1.516 59.485 58.000 -0.051 0.000 1.265 261 F CB -0.574 38.437 39.000 0.019 0.000 1.087 261 F HN -0.068 nan 8.300 nan 0.000 0.511 262 T N -1.875 112.730 114.554 0.086 0.000 2.849 262 T HA -0.101 4.249 4.350 -0.000 0.000 0.270 262 T C 2.184 176.794 174.700 -0.151 0.000 1.066 262 T CA 1.187 63.269 62.100 -0.030 0.000 1.130 262 T CB -1.481 67.412 68.868 0.041 0.000 0.864 262 T HN 0.344 nan 8.240 nan 0.000 0.481 263 G N 0.925 109.645 108.800 -0.133 0.000 2.421 263 G HA2 0.191 4.151 3.960 -0.000 0.000 0.217 263 G HA3 0.191 4.151 3.960 -0.000 0.000 0.217 263 G C 1.837 176.594 174.900 -0.239 0.000 1.143 263 G CA 0.538 45.549 45.100 -0.148 0.000 0.784 263 G HN 0.725 nan 8.290 nan 0.000 0.541 264 A N 0.764 123.409 122.820 -0.291 0.000 2.014 264 A HA 0.099 4.419 4.320 -0.000 0.000 0.218 264 A C 2.273 179.591 177.584 -0.443 0.000 1.163 264 A CA 1.643 53.460 52.037 -0.366 0.000 0.652 264 A CB -0.205 18.593 19.000 -0.336 0.000 0.808 264 A HN 0.370 nan 8.150 nan 0.000 0.449 265 K N 0.196 120.319 120.400 -0.461 0.000 1.984 265 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 265 K C 1.947 178.334 176.600 -0.355 0.000 1.046 265 K CA 1.637 57.675 56.287 -0.415 0.000 0.934 265 K CB -0.242 32.030 32.500 -0.379 0.000 0.717 265 K HN 0.388 nan 8.250 nan 0.000 0.438 266 K N 0.660 120.878 120.400 -0.303 0.000 2.152 266 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 266 K C 2.372 178.732 176.600 -0.401 0.000 1.048 266 K CA 1.304 57.423 56.287 -0.280 0.000 0.933 266 K CB -0.429 31.955 32.500 -0.193 0.000 0.721 266 K HN 0.241 nan 8.250 nan 0.000 0.447 267 C N 1.109 120.112 119.300 -0.494 0.000 2.425 267 C HA -0.051 4.409 4.460 -0.000 0.000 0.277 267 C C 2.343 176.748 174.990 -0.975 0.000 1.280 267 C CA 0.592 59.142 59.018 -0.781 0.000 1.744 267 C CB -0.846 26.421 27.740 -0.787 0.000 1.989 267 C HN 0.398 nan 8.230 nan 0.000 0.491 268 L N 0.028 120.852 121.223 -0.664 0.000 2.179 268 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 268 L C 2.614 179.270 176.870 -0.357 0.000 1.096 268 L CA 0.773 55.309 54.840 -0.507 0.000 0.779 268 L CB -0.555 41.293 42.059 -0.351 0.000 0.922 268 L HN 0.187 nan 8.230 nan 0.000 0.443 269 V N 0.485 120.198 119.914 -0.335 0.000 2.282 269 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 269 V C 2.139 178.104 176.094 -0.215 0.000 1.057 269 V CA 2.045 64.192 62.300 -0.255 0.000 1.032 269 V CB -0.706 30.980 31.823 -0.228 0.000 0.645 269 V HN 0.520 nan 8.190 nan 0.000 0.447 270 N N -0.099 118.447 118.700 -0.256 0.000 2.309 270 N HA -0.100 4.640 4.740 -0.000 0.000 0.182 270 N C 1.564 177.044 175.510 -0.050 0.000 1.018 270 N CA 0.942 53.886 53.050 -0.177 0.000 0.876 270 N CB -0.467 37.851 38.487 -0.281 0.000 0.972 270 N HN 0.411 nan 8.380 nan 0.000 0.434 271 L N 1.173 122.371 121.223 -0.042 0.000 2.027 271 L HA 0.036 4.376 4.340 -0.000 0.000 0.206 271 L C 1.841 178.779 176.870 0.114 0.000 1.074 271 L CA 1.267 56.201 54.840 0.156 0.000 0.745 271 L CB -0.523 41.617 42.059 0.136 0.000 0.898 271 L HN 0.062 nan 8.230 nan 0.000 0.433 272 I N -0.504 120.069 120.570 0.003 0.000 2.179 272 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 272 I C 2.512 178.634 176.117 0.009 0.000 1.088 272 I CA 1.771 63.052 61.300 -0.031 0.000 1.357 272 I CB -0.504 37.314 38.000 -0.303 0.000 1.051 272 I HN 0.424 nan 8.210 nan 0.000 0.409 273 E N 1.390 121.570 120.200 -0.034 0.000 2.153 273 E HA -0.289 4.061 4.350 -0.000 0.000 0.194 273 E C 2.094 178.688 176.600 -0.010 0.000 0.988 273 E CA 1.176 57.561 56.400 -0.025 0.000 0.811 273 E CB 0.123 29.795 29.700 -0.046 0.000 0.746 273 E HN 0.172 nan 8.360 nan 0.000 0.466 274 K N 0.342 120.749 120.400 0.012 0.000 2.026 274 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 274 K C 1.848 178.458 176.600 0.016 0.000 1.048 274 K CA 1.577 57.858 56.287 -0.009 0.000 0.929 274 K CB -0.520 32.013 32.500 0.055 0.000 0.713 274 K HN 0.060 nan 8.250 nan 0.000 0.439 275 V N 1.077 121.097 119.914 0.177 0.000 2.515 275 V HA -0.143 3.977 4.120 -0.000 0.000 0.250 275 V C 2.349 178.583 176.094 0.233 0.000 1.058 275 V CA 1.719 64.209 62.300 0.316 0.000 1.064 275 V CB -0.871 31.145 31.823 0.321 0.000 0.675 275 V HN 0.473 nan 8.190 nan 0.000 0.461 276 A N 0.874 123.772 122.820 0.130 0.000 1.969 276 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 276 A C 2.495 180.097 177.584 0.029 0.000 1.169 276 A CA 1.802 53.894 52.037 0.090 0.000 0.635 276 A CB -0.603 18.430 19.000 0.056 0.000 0.810 276 A HN 0.679 nan 8.150 nan 0.000 0.445 277 S N -1.504 114.152 115.700 -0.073 0.000 2.474 277 S HA -0.127 4.343 4.470 -0.000 0.000 0.235 277 S C 1.379 175.878 174.600 -0.168 0.000 0.997 277 S CA 0.952 59.056 58.200 -0.161 0.000 0.949 277 S CB -0.727 62.309 63.200 -0.273 0.000 0.766 277 S HN 0.540 nan 8.310 nan 0.000 0.517 278 Y N 2.173 122.492 120.300 0.032 0.000 2.529 278 Y HA 0.367 4.917 4.550 -0.000 0.000 0.290 278 Y C 1.942 177.858 175.900 0.026 0.000 1.177 278 Y CA -0.663 57.452 58.100 0.025 0.000 1.305 278 Y CB -0.757 37.716 38.460 0.022 0.000 1.047 278 Y HN 0.410 nan 8.280 nan 0.000 0.522 279 G N 0.340 109.222 108.800 0.137 0.000 2.179 279 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.257 279 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.257 279 G C -0.267 174.694 174.900 0.102 0.000 1.010 279 G CA 0.401 45.560 45.100 0.098 0.000 0.736 279 G HN 0.168 nan 8.290 nan 0.000 0.513 280 V N -0.238 119.754 119.914 0.130 0.000 2.513 280 V HA 0.558 4.678 4.120 -0.000 0.000 0.299 280 V C 0.284 176.443 176.094 0.109 0.000 1.035 280 V CA -0.708 61.653 62.300 0.101 0.000 0.889 280 V CB 1.930 33.807 31.823 0.089 0.000 0.988 280 V HN 0.267 nan 8.190 nan 0.000 0.440 281 K N 5.250 125.700 120.400 0.084 0.000 2.562 281 K HA 0.412 4.732 4.320 -0.000 0.000 0.206 281 K C -2.642 173.995 176.600 0.062 0.000 1.033 281 K CA -1.407 54.944 56.287 0.107 0.000 1.029 281 K CB 1.288 33.846 32.500 0.098 0.000 1.393 281 K HN 0.439 nan 8.250 nan 0.000 0.539 282 P HA 0.163 nan 4.420 nan 0.000 0.293 282 P C -0.702 176.520 177.300 -0.129 0.000 1.298 282 P CA -0.601 62.419 63.100 -0.133 0.000 0.757 282 P CB 0.620 32.134 31.700 -0.310 0.000 1.262 283 R N -0.243 120.136 120.500 -0.201 0.000 2.246 283 R HA 0.394 4.734 4.340 -0.000 0.000 0.332 283 R C -0.593 175.581 176.300 -0.211 0.000 0.974 283 R CA -0.347 55.694 56.100 -0.099 0.000 0.837 283 R CB 0.245 30.516 30.300 -0.048 0.000 1.145 283 R HN 0.465 nan 8.270 nan 0.000 0.467 284 Y N 0.146 120.454 120.300 0.013 0.000 2.326 284 Y HA 0.497 5.047 4.550 -0.000 0.000 0.324 284 Y C 1.307 177.232 175.900 0.043 0.000 1.291 284 Y CA -0.271 57.834 58.100 0.008 0.000 1.348 284 Y CB 1.683 40.177 38.460 0.057 0.000 1.294 284 Y HN 0.642 nan 8.280 nan 0.000 0.525 285 G N 2.174 111.115 108.800 0.235 0.000 2.770 285 G HA2 0.402 4.362 3.960 -0.000 0.000 0.298 285 G HA3 0.402 4.362 3.960 -0.000 0.000 0.298 285 G C -2.190 172.888 174.900 0.296 0.000 1.534 285 G CA -0.500 44.760 45.100 0.266 0.000 1.046 285 G HN 0.440 nan 8.290 nan 0.000 0.548 286 L N 2.885 124.267 121.223 0.265 0.000 2.281 286 L HA 0.754 5.094 4.340 -0.000 0.000 0.285 286 L C -0.631 176.453 176.870 0.358 0.000 1.074 286 L CA -0.392 54.595 54.840 0.245 0.000 0.817 286 L CB 1.443 43.575 42.059 0.122 0.000 1.168 286 L HN 0.200 nan 8.230 nan 0.000 0.434 287 V N 3.932 124.061 119.914 0.358 0.000 2.567 287 V HA 0.403 4.523 4.120 -0.000 0.000 0.298 287 V C -0.249 176.100 176.094 0.426 0.000 1.047 287 V CA -0.427 62.119 62.300 0.409 0.000 0.880 287 V CB 1.996 34.006 31.823 0.311 0.000 1.009 287 V HN 0.859 nan 8.190 nan 0.000 0.429 288 T N 2.373 117.247 114.554 0.533 0.000 2.767 288 T HA 0.778 5.128 4.350 -0.000 0.000 0.284 288 T C -0.750 174.139 174.700 0.315 0.000 0.973 288 T CA -0.511 61.851 62.100 0.438 0.000 0.996 288 T CB 1.205 70.403 68.868 0.550 0.000 0.927 288 T HN 0.737 nan 8.240 nan 0.000 0.456 289 Y N 1.539 121.840 120.300 0.003 0.000 2.562 289 Y HA 0.923 5.473 4.550 -0.000 0.000 0.343 289 Y C 0.042 175.743 175.900 -0.332 0.000 1.025 289 Y CA -1.157 56.873 58.100 -0.116 0.000 1.082 289 Y CB 1.298 39.759 38.460 0.003 0.000 1.264 289 Y HN 0.868 nan 8.280 nan 0.000 0.478 290 A N 1.120 123.788 122.820 -0.253 0.000 1.893 290 A HA 0.266 4.586 4.320 -0.000 0.000 0.175 290 A C 1.165 178.709 177.584 -0.067 0.000 1.480 290 A CA 0.431 52.304 52.037 -0.273 0.000 2.061 290 A CB -0.356 18.461 19.000 -0.306 0.000 2.260 290 A HN 0.713 nan 8.150 nan 0.000 1.021 291 T N -0.184 114.299 114.554 -0.117 0.000 3.014 291 T HA 0.260 4.610 4.350 -0.000 0.000 0.263 291 T C -0.454 173.831 174.700 -0.692 0.000 1.078 291 T CA 1.278 63.133 62.100 -0.409 0.000 1.135 291 T CB -0.349 68.206 68.868 -0.522 0.000 0.895 291 T HN 0.385 nan 8.240 nan 0.000 0.480 292 Y N -0.155 120.214 120.300 0.115 0.000 2.504 292 Y HA 0.464 5.014 4.550 -0.000 0.000 0.344 292 Y C -2.831 173.159 175.900 0.150 0.000 1.023 292 Y CA -3.315 54.850 58.100 0.108 0.000 1.020 292 Y CB 0.937 39.444 38.460 0.079 0.000 1.282 292 Y HN -0.186 nan 8.280 nan 0.000 0.454 293 P HA 0.147 nan 4.420 nan 0.000 0.269 293 P C -0.902 176.526 177.300 0.213 0.000 1.215 293 P CA -0.332 62.909 63.100 0.235 0.000 0.780 293 P CB 0.667 32.457 31.700 0.150 0.000 0.898 294 K N 2.800 123.328 120.400 0.213 0.000 2.656 294 K HA 0.382 4.702 4.320 -0.000 0.000 0.241 294 K C -1.179 175.400 176.600 -0.034 0.000 0.967 294 K CA -0.174 56.148 56.287 0.058 0.000 0.946 294 K CB -0.174 32.402 32.500 0.127 0.000 1.164 294 K HN 0.291 nan 8.250 nan 0.000 0.459 295 I N 5.092 125.619 120.570 -0.072 0.000 2.379 295 I HA 0.143 4.312 4.170 -0.000 0.000 0.290 295 I C 0.166 176.224 176.117 -0.097 0.000 1.063 295 I CA -0.282 61.031 61.300 0.022 0.000 1.351 295 I CB 0.647 38.693 38.000 0.077 0.000 1.410 295 I HN 0.714 nan 8.210 nan 0.000 0.505 296 W N 4.751 126.120 121.300 0.115 0.000 2.640 296 W HA 0.214 4.874 4.660 -0.000 0.000 0.271 296 W C 0.201 176.774 176.519 0.090 0.000 1.218 296 W CA 0.169 57.556 57.345 0.069 0.000 1.382 296 W CB 0.146 29.607 29.460 0.002 0.000 1.067 296 W HN 0.134 nan 8.180 nan 0.000 0.590 297 V N 1.290 121.411 119.914 0.345 0.000 2.577 297 V HA 0.326 4.446 4.120 -0.000 0.000 0.303 297 V C -0.417 175.868 176.094 0.319 0.000 1.042 297 V CA -1.473 61.035 62.300 0.346 0.000 0.872 297 V CB 1.777 33.762 31.823 0.269 0.000 0.998 297 V HN -0.197 nan 8.190 nan 0.000 0.423 298 K N 2.363 122.951 120.400 0.312 0.000 2.207 298 K HA 0.517 4.837 4.320 -0.000 0.000 0.255 298 K C 0.900 177.639 176.600 0.231 0.000 0.941 298 K CA -0.571 55.866 56.287 0.250 0.000 0.825 298 K CB 2.144 34.763 32.500 0.199 0.000 1.119 298 K HN 0.532 nan 8.250 nan 0.000 0.430 299 V N 0.106 120.149 119.914 0.216 0.000 2.913 299 V HA -0.153 3.967 4.120 -0.000 0.000 0.260 299 V C 1.459 177.640 176.094 0.145 0.000 1.098 299 V CA 1.868 64.267 62.300 0.166 0.000 1.121 299 V CB -0.613 31.305 31.823 0.159 0.000 0.714 299 V HN 0.747 nan 8.190 nan 0.000 0.487 300 S N -0.668 115.121 115.700 0.148 0.000 2.527 300 S HA 0.097 4.567 4.470 -0.000 0.000 0.222 300 S C 0.714 175.368 174.600 0.091 0.000 0.985 300 S CA -0.151 58.118 58.200 0.116 0.000 0.921 300 S CB -0.537 62.730 63.200 0.112 0.000 0.772 300 S HN 0.788 nan 8.310 nan 0.000 0.529 301 E N 0.747 121.008 120.200 0.103 0.000 2.392 301 E HA 0.441 4.791 4.350 -0.000 0.000 0.259 301 E C 0.703 177.319 176.600 0.025 0.000 1.108 301 E CA 0.111 56.547 56.400 0.059 0.000 0.916 301 E CB 0.555 30.304 29.700 0.081 0.000 0.989 301 E HN 0.370 nan 8.360 nan 0.000 0.432 302 A N 1.990 124.789 122.820 -0.035 0.000 2.238 302 A HA -0.045 4.275 4.320 -0.000 0.000 0.208 302 A C 0.510 178.046 177.584 -0.080 0.000 1.177 302 A CA 0.518 52.529 52.037 -0.043 0.000 0.804 302 A CB 0.104 19.071 19.000 -0.056 0.000 0.823 302 A HN 0.415 nan 8.150 nan 0.000 0.482 303 D N -0.851 119.460 120.400 -0.148 0.000 2.431 303 D HA 0.029 4.669 4.640 -0.000 0.000 0.213 303 D C 1.845 178.215 176.300 0.117 0.000 1.130 303 D CA 0.899 54.776 54.000 -0.205 0.000 0.834 303 D CB 0.225 40.512 40.800 -0.855 0.000 0.985 303 D HN 0.490 nan 8.370 nan 0.000 0.504 304 S N -0.122 115.681 115.700 0.171 0.000 2.428 304 S HA -0.135 4.335 4.470 -0.000 0.000 0.230 304 S C 1.941 176.713 174.600 0.287 0.000 1.014 304 S CA 1.080 59.453 58.200 0.289 0.000 0.957 304 S CB -0.244 63.085 63.200 0.215 0.000 0.784 304 S HN 0.170 nan 8.310 nan 0.000 0.499 305 S N 1.288 117.104 115.700 0.193 0.000 2.496 305 S HA 0.118 4.588 4.470 -0.000 0.000 0.224 305 S C 0.716 175.438 174.600 0.203 0.000 0.996 305 S CA -0.038 58.273 58.200 0.184 0.000 0.927 305 S CB -0.773 62.489 63.200 0.104 0.000 0.774 305 S HN 0.456 nan 8.310 nan 0.000 0.524 306 N N 2.169 120.982 118.700 0.189 0.000 2.402 306 N HA 0.419 5.159 4.740 -0.000 0.000 0.259 306 N C 0.976 176.593 175.510 0.177 0.000 1.167 306 N CA 0.389 53.541 53.050 0.169 0.000 0.949 306 N CB 0.885 39.462 38.487 0.150 0.000 1.212 306 N HN 0.293 nan 8.380 nan 0.000 0.493 307 A N 3.317 126.203 122.820 0.109 0.000 1.940 307 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 307 A C 1.821 179.381 177.584 -0.040 0.000 1.176 307 A CA 1.714 53.737 52.037 -0.024 0.000 0.631 307 A CB -0.514 18.484 19.000 -0.004 0.000 0.814 307 A HN 0.723 nan 8.150 nan 0.000 0.446 308 D N -1.546 118.877 120.400 0.039 0.000 2.084 308 D HA -0.215 4.425 4.640 -0.000 0.000 0.194 308 D C 1.668 178.012 176.300 0.073 0.000 0.990 308 D CA 1.630 55.654 54.000 0.040 0.000 0.826 308 D CB -0.445 40.396 40.800 0.069 0.000 0.971 308 D HN 0.578 nan 8.370 nan 0.000 0.453 309 W N 0.725 122.005 121.300 -0.033 0.000 2.338 309 W HA -0.177 4.483 4.660 -0.000 0.000 0.304 309 W C 2.206 178.705 176.519 -0.033 0.000 1.212 309 W CA 1.793 59.128 57.345 -0.016 0.000 1.264 309 W CB -0.525 28.944 29.460 0.014 0.000 1.142 309 W HN -0.106 nan 8.180 nan 0.000 0.512 310 V N 0.330 120.219 119.914 -0.041 0.000 2.490 310 V HA -0.340 3.780 4.120 -0.000 0.000 0.250 310 V C 2.172 178.069 176.094 -0.327 0.000 1.061 310 V CA 2.389 64.534 62.300 -0.258 0.000 1.064 310 V CB -1.463 30.241 31.823 -0.198 0.000 0.670 310 V HN 0.218 nan 8.190 nan 0.000 0.461 311 T N -0.479 113.921 114.554 -0.257 0.000 2.812 311 T HA -0.146 4.204 4.350 -0.000 0.000 0.264 311 T C 1.930 176.484 174.700 -0.243 0.000 1.042 311 T CA 1.245 63.202 62.100 -0.238 0.000 1.140 311 T CB -0.161 68.601 68.868 -0.176 0.000 0.870 311 T HN 0.483 nan 8.240 nan 0.000 0.445 312 K N 0.793 121.052 120.400 -0.236 0.000 2.097 312 K HA -0.022 4.298 4.320 -0.000 0.000 0.205 312 K C 2.552 178.963 176.600 -0.315 0.000 1.050 312 K CA 0.778 56.931 56.287 -0.223 0.000 0.938 312 K CB -0.030 32.382 32.500 -0.147 0.000 0.718 312 K HN 0.239 nan 8.250 nan 0.000 0.442 313 Q N 0.550 120.062 119.800 -0.479 0.000 2.224 313 Q HA -0.110 4.230 4.340 -0.000 0.000 0.203 313 Q C 2.006 177.715 176.000 -0.485 0.000 0.970 313 Q CA 0.830 56.327 55.803 -0.511 0.000 0.865 313 Q CB -0.137 28.186 28.738 -0.692 0.000 0.922 313 Q HN 0.206 nan 8.270 nan 0.000 0.445 314 L N 1.048 122.030 121.223 -0.402 0.000 2.478 314 L HA -0.003 4.337 4.340 -0.000 0.000 0.223 314 L C 1.044 177.721 176.870 -0.323 0.000 1.140 314 L CA 1.104 55.723 54.840 -0.368 0.000 0.842 314 L CB -0.118 41.761 42.059 -0.300 0.000 0.953 314 L HN 0.034 nan 8.230 nan 0.000 0.452 315 N N -0.668 117.862 118.700 -0.284 0.000 2.432 315 N HA -0.025 4.715 4.740 -0.000 0.000 0.174 315 N C 1.495 176.885 175.510 -0.199 0.000 1.037 315 N CA 0.761 53.686 53.050 -0.209 0.000 0.892 315 N CB 0.037 38.429 38.487 -0.160 0.000 1.049 315 N HN 0.409 nan 8.380 nan 0.000 0.442 316 E N 1.045 121.097 120.200 -0.247 0.000 2.204 316 E HA -0.043 4.307 4.350 -0.000 0.000 0.194 316 E C 0.765 177.203 176.600 -0.269 0.000 0.989 316 E CA 0.179 56.455 56.400 -0.207 0.000 0.824 316 E CB -0.059 29.537 29.700 -0.173 0.000 0.756 316 E HN 0.488 nan 8.360 nan 0.000 0.477 317 I N 0.044 120.326 120.570 -0.479 0.000 2.813 317 I HA 0.148 4.318 4.170 -0.000 0.000 0.287 317 I C 0.004 176.067 176.117 -0.090 0.000 1.196 317 I CA -0.333 60.685 61.300 -0.470 0.000 1.421 317 I CB 0.448 38.046 38.000 -0.669 0.000 1.365 317 I HN -0.176 nan 8.210 nan 0.000 0.591 318 N N 2.580 121.306 118.700 0.045 0.000 2.416 318 N HA 0.202 4.942 4.740 -0.000 0.000 0.276 318 N C -0.220 175.344 175.510 0.090 0.000 1.261 318 N CA -0.750 52.378 53.050 0.130 0.000 0.790 318 N CB 1.217 39.742 38.487 0.063 0.000 1.554 318 N HN 0.700 nan 8.380 nan 0.000 0.481 319 Y N 1.093 121.325 120.300 -0.112 0.000 2.497 319 Y HA 0.068 4.618 4.550 -0.000 0.000 0.292 319 Y C 1.137 176.888 175.900 -0.248 0.000 1.137 319 Y CA 1.514 59.307 58.100 -0.511 0.000 1.285 319 Y CB 0.437 38.625 38.460 -0.453 0.000 0.991 319 Y HN 0.561 nan 8.280 nan 0.000 0.556 320 E N -0.130 120.025 120.200 -0.075 0.000 2.482 320 E HA -0.110 4.240 4.350 -0.000 0.000 0.196 320 E C 1.141 177.658 176.600 -0.138 0.000 1.047 320 E CA 0.669 57.016 56.400 -0.088 0.000 0.869 320 E CB -0.077 29.620 29.700 -0.004 0.000 0.836 320 E HN 0.622 nan 8.360 nan 0.000 0.520 321 D N 0.249 120.556 120.400 -0.156 0.000 2.178 321 D HA -0.106 4.534 4.640 -0.000 0.000 0.202 321 D C 0.639 176.677 176.300 -0.436 0.000 0.974 321 D CA 1.054 54.922 54.000 -0.220 0.000 0.841 321 D CB -0.027 40.699 40.800 -0.123 0.000 0.953 321 D HN 0.332 nan 8.370 nan 0.000 0.478 322 H N -0.293 118.647 119.070 -0.217 0.000 2.474 322 H HA 0.229 4.785 4.556 -0.000 0.000 0.250 322 H C 1.097 176.250 175.328 -0.291 0.000 1.307 322 H CA -0.096 55.821 56.048 -0.219 0.000 1.058 322 H CB 0.847 30.462 29.762 -0.244 0.000 1.693 322 H HN 0.096 nan 8.280 nan 0.000 0.552 323 K N 0.576 120.884 120.400 -0.154 0.000 2.214 323 K HA -0.023 4.297 4.320 -0.000 0.000 0.201 323 K C 1.791 178.358 176.600 -0.056 0.000 1.049 323 K CA 0.079 56.289 56.287 -0.128 0.000 0.978 323 K CB 0.466 32.907 32.500 -0.098 0.000 0.842 323 K HN 0.123 nan 8.250 nan 0.000 0.474 324 L N 1.868 123.069 121.223 -0.037 0.000 2.017 324 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 324 L C 0.040 176.918 176.870 0.014 0.000 1.073 324 L CA 1.893 56.728 54.840 -0.008 0.000 0.745 324 L CB -0.050 42.006 42.059 -0.005 0.000 0.894 324 L HN -0.031 nan 8.230 nan 0.000 0.432 325 K N -0.087 120.335 120.400 0.036 0.000 2.533 325 K HA 0.245 4.565 4.320 -0.000 0.000 0.207 325 K C 0.100 176.717 176.600 0.028 0.000 1.052 325 K CA 0.247 56.570 56.287 0.061 0.000 1.030 325 K CB 0.460 33.054 32.500 0.157 0.000 1.522 325 K HN 0.222 nan 8.250 nan 0.000 0.543 326 S N 0.037 115.729 115.700 -0.015 0.000 4.183 326 S HA 0.190 4.660 4.470 -0.000 0.000 0.195 326 S C 0.612 175.183 174.600 -0.049 0.000 1.421 326 S CA -0.787 57.383 58.200 -0.052 0.000 0.920 326 S CB 0.217 63.382 63.200 -0.059 0.000 1.525 326 S HN 0.469 nan 8.310 nan 0.000 0.447 327 G N 0.570 109.332 108.800 -0.064 0.000 2.531 327 G HA2 0.579 4.539 3.960 -0.000 0.000 0.313 327 G HA3 0.579 4.539 3.960 -0.000 0.000 0.313 327 G C -0.680 174.190 174.900 -0.050 0.000 1.238 327 G CA -0.850 44.209 45.100 -0.068 0.000 0.994 327 G HN 0.414 nan 8.290 nan 0.000 0.493 328 T N 0.996 115.552 114.554 0.002 0.000 3.209 328 T HA 0.214 4.563 4.350 -0.000 0.000 0.366 328 T C -0.310 174.486 174.700 0.160 0.000 1.293 328 T CA -0.527 61.628 62.100 0.092 0.000 1.417 328 T CB 0.200 69.128 68.868 0.100 0.000 1.013 328 T HN 0.426 nan 8.240 nan 0.000 0.572 329 N N 1.536 120.347 118.700 0.186 0.000 2.936 329 N HA 0.178 4.918 4.740 -0.000 0.000 0.243 329 N C 1.128 176.650 175.510 0.019 0.000 1.149 329 N CA -0.368 52.734 53.050 0.086 0.000 0.914 329 N CB 0.777 39.251 38.487 -0.021 0.000 1.179 329 N HN 0.238 nan 8.380 nan 0.000 0.502 330 T N 0.827 115.370 114.554 -0.018 0.000 2.881 330 T HA -0.131 4.219 4.350 -0.000 0.000 0.270 330 T C 1.668 176.159 174.700 -0.348 0.000 1.068 330 T CA 1.022 62.913 62.100 -0.348 0.000 1.131 330 T CB 0.267 69.057 68.868 -0.130 0.000 0.871 330 T HN 0.485 nan 8.240 nan 0.000 0.479 331 K N 1.420 121.683 120.400 -0.227 0.000 1.991 331 K HA -0.140 4.180 4.320 -0.000 0.000 0.212 331 K C 2.227 178.724 176.600 -0.171 0.000 1.049 331 K CA 1.428 57.600 56.287 -0.192 0.000 0.932 331 K CB -0.078 32.331 32.500 -0.151 0.000 0.717 331 K HN 0.178 nan 8.250 nan 0.000 0.441 332 K N 0.023 120.344 120.400 -0.132 0.000 2.152 332 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 332 K C 2.123 178.660 176.600 -0.105 0.000 1.048 332 K CA 1.107 57.345 56.287 -0.082 0.000 0.933 332 K CB -0.149 32.344 32.500 -0.012 0.000 0.721 332 K HN 0.269 nan 8.250 nan 0.000 0.447 333 A N 1.564 124.242 122.820 -0.238 0.000 1.865 333 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 333 A C 2.108 179.589 177.584 -0.172 0.000 1.191 333 A CA 1.346 53.205 52.037 -0.297 0.000 0.623 333 A CB -0.672 17.767 19.000 -0.935 0.000 0.826 333 A HN 0.170 nan 8.150 nan 0.000 0.444 334 L N -0.879 120.227 121.223 -0.195 0.000 2.141 334 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 334 L C 2.839 179.667 176.870 -0.070 0.000 1.094 334 L CA 1.349 56.118 54.840 -0.119 0.000 0.763 334 L CB -0.646 41.337 42.059 -0.126 0.000 0.908 334 L HN 0.502 nan 8.230 nan 0.000 0.437 335 Q N -0.043 119.709 119.800 -0.080 0.000 2.124 335 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 335 Q C 2.467 178.483 176.000 0.026 0.000 0.977 335 Q CA 1.509 57.284 55.803 -0.048 0.000 0.850 335 Q CB -0.256 28.430 28.738 -0.087 0.000 0.901 335 Q HN 0.567 nan 8.270 nan 0.000 0.429 336 A N 0.394 123.222 122.820 0.013 0.000 1.933 336 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 336 A C 2.283 179.899 177.584 0.053 0.000 1.175 336 A CA 1.256 53.322 52.037 0.049 0.000 0.628 336 A CB -0.491 18.548 19.000 0.065 0.000 0.814 336 A HN 0.216 nan 8.150 nan 0.000 0.444 337 V N -1.658 118.261 119.914 0.009 0.000 2.548 337 V HA -0.233 3.887 4.120 -0.000 0.000 0.249 337 V C 2.272 178.283 176.094 -0.139 0.000 1.055 337 V CA 1.775 64.020 62.300 -0.091 0.000 1.065 337 V CB -1.060 30.640 31.823 -0.205 0.000 0.681 337 V HN 0.707 nan 8.190 nan 0.000 0.462 338 Y N 2.230 122.422 120.300 -0.180 0.000 2.181 338 Y HA -0.267 4.283 4.550 -0.000 0.000 0.288 338 Y C 2.801 178.610 175.900 -0.151 0.000 1.146 338 Y CA 1.815 59.801 58.100 -0.189 0.000 1.164 338 Y CB -0.188 38.169 38.460 -0.171 0.000 0.982 338 Y HN 0.384 nan 8.280 nan 0.000 0.515 339 S N -0.562 115.173 115.700 0.057 0.000 2.474 339 S HA -0.182 4.288 4.470 -0.000 0.000 0.235 339 S C 1.761 176.350 174.600 -0.019 0.000 0.997 339 S CA 1.301 59.509 58.200 0.012 0.000 0.949 339 S CB -0.580 62.659 63.200 0.066 0.000 0.766 339 S HN 0.570 nan 8.310 nan 0.000 0.517 340 M N 1.050 120.656 119.600 0.010 0.000 2.447 340 M HA 0.235 4.715 4.480 -0.000 0.000 0.264 340 M C 2.018 178.388 176.300 0.117 0.000 1.095 340 M CA 0.969 56.336 55.300 0.111 0.000 1.125 340 M CB -0.353 32.392 32.600 0.241 0.000 1.389 340 M HN 0.537 nan 8.290 nan 0.000 0.459 341 M N -1.378 118.195 119.600 -0.044 0.000 2.405 341 M HA 0.324 4.804 4.480 -0.000 0.000 0.292 341 M C 0.381 176.547 176.300 -0.224 0.000 1.111 341 M CA -0.472 54.811 55.300 -0.028 0.000 0.979 341 M CB 0.138 32.649 32.600 -0.149 0.000 1.426 341 M HN -0.039 nan 8.290 nan 0.000 0.509 342 S N 0.382 115.867 115.700 -0.358 0.000 2.730 342 S HA 0.774 5.244 4.470 -0.000 0.000 0.284 342 S C -0.963 173.511 174.600 -0.210 0.000 1.153 342 S CA -0.773 57.050 58.200 -0.627 0.000 0.995 342 S CB 0.494 63.295 63.200 -0.665 0.000 1.058 342 S HN 0.592 nan 8.310 nan 0.000 0.552 343 W N -1.397 119.832 121.300 -0.118 0.000 3.022 343 W HA 0.695 5.355 4.660 -0.000 0.000 0.335 343 W C -3.405 173.080 176.519 -0.057 0.000 1.133 343 W CA -2.529 54.772 57.345 -0.074 0.000 1.219 343 W CB -0.820 28.583 29.460 -0.094 0.000 1.409 343 W HN 0.416 nan 8.180 nan 0.000 0.507 344 P HA 0.070 nan 4.420 nan 0.000 0.267 344 P C -0.438 176.939 177.300 0.129 0.000 1.209 344 P CA 0.308 63.471 63.100 0.106 0.000 0.763 344 P CB 0.487 32.239 31.700 0.087 0.000 0.816 345 D N 2.689 123.135 120.400 0.077 0.000 2.894 345 D HA -0.217 4.423 4.640 -0.000 0.000 0.216 345 D C 0.491 176.856 176.300 0.108 0.000 1.245 345 D CA 1.419 55.461 54.000 0.069 0.000 0.728 345 D CB -1.242 39.585 40.800 0.045 0.000 0.924 345 D HN 0.630 nan 8.370 nan 0.000 0.395 346 D N -1.190 119.314 120.400 0.173 0.000 2.882 346 D HA -0.230 4.410 4.640 -0.000 0.000 0.229 346 D C -0.666 175.701 176.300 0.110 0.000 1.167 346 D CA 0.744 54.859 54.000 0.192 0.000 0.759 346 D CB -0.671 40.180 40.800 0.085 0.000 1.088 346 D HN 0.284 nan 8.370 nan 0.000 0.425 347 V N 1.393 121.394 119.914 0.145 0.000 2.320 347 V HA 0.337 4.457 4.120 -0.000 0.000 0.265 347 V C -1.840 174.070 176.094 -0.307 0.000 1.048 347 V CA -1.223 61.059 62.300 -0.030 0.000 0.865 347 V CB 1.162 33.000 31.823 0.025 0.000 1.043 347 V HN 0.073 nan 8.190 nan 0.000 0.474 348 P HA 0.254 nan 4.420 nan 0.000 0.269 348 P C -2.489 174.539 177.300 -0.453 0.000 1.252 348 P CA -1.095 61.520 63.100 -0.809 0.000 0.780 348 P CB -0.096 31.293 31.700 -0.518 0.000 0.829 349 P HA 0.100 nan 4.420 nan 0.000 0.271 349 P C -0.206 177.113 177.300 0.031 0.000 1.216 349 P CA -0.139 62.887 63.100 -0.123 0.000 0.771 349 P CB 0.401 32.078 31.700 -0.038 0.000 0.864 350 E N 2.301 122.516 120.200 0.025 0.000 2.159 350 E HA 0.355 4.705 4.350 -0.000 0.000 0.272 350 E C 0.911 177.523 176.600 0.019 0.000 1.138 350 E CA 0.658 57.074 56.400 0.027 0.000 0.915 350 E CB -1.119 28.581 29.700 0.000 0.000 1.028 350 E HN 0.696 nan 8.360 nan 0.000 0.423 351 G N 5.030 113.817 108.800 -0.022 0.000 2.151 351 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.156 351 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.156 351 G C 0.548 175.430 174.900 -0.031 0.000 1.017 351 G CA 0.036 45.094 45.100 -0.069 0.000 0.686 351 G HN 0.609 nan 8.290 nan 0.000 0.503 352 W N 1.210 122.454 121.300 -0.093 0.000 2.453 352 W HA 0.060 4.720 4.660 -0.000 0.000 0.289 352 W C 0.963 177.477 176.519 -0.009 0.000 1.215 352 W CA 1.192 58.505 57.345 -0.053 0.000 1.297 352 W CB -0.707 28.592 29.460 -0.268 0.000 1.113 352 W HN 0.450 nan 8.180 nan 0.000 0.551 353 N N 1.222 119.217 118.700 -1.174 0.000 2.346 353 N HA 0.045 4.785 4.740 -0.000 0.000 0.225 353 N C 0.791 175.938 175.510 -0.606 0.000 1.144 353 N CA -0.117 52.227 53.050 -1.176 0.000 0.837 353 N CB -0.518 36.874 38.487 -1.825 0.000 1.069 353 N HN 0.321 nan 8.380 nan 0.000 0.487 354 R N -1.626 118.726 120.500 -0.246 0.000 2.541 354 R HA 0.183 4.522 4.340 -0.000 0.000 0.332 354 R C -0.484 175.894 176.300 0.131 0.000 0.951 354 R CA -0.104 56.002 56.100 0.009 0.000 1.136 354 R CB 0.735 31.001 30.300 -0.057 0.000 1.449 354 R HN 0.046 nan 8.270 nan 0.000 0.531 355 T N 1.877 116.500 114.554 0.116 0.000 2.749 355 T HA 0.364 4.714 4.350 -0.000 0.000 0.287 355 T C -0.176 174.538 174.700 0.024 0.000 0.970 355 T CA -0.551 61.569 62.100 0.034 0.000 0.980 355 T CB 1.393 70.243 68.868 -0.030 0.000 0.924 355 T HN -0.114 nan 8.240 nan 0.000 0.456 356 R N 2.134 122.615 120.500 -0.031 0.000 2.490 356 R HA 0.466 4.806 4.340 -0.000 0.000 0.278 356 R C -0.549 175.645 176.300 -0.177 0.000 1.069 356 R CA -0.320 55.781 56.100 0.002 0.000 1.080 356 R CB 0.177 30.457 30.300 -0.033 0.000 1.030 356 R HN 0.641 nan 8.270 nan 0.000 0.491 357 H N -0.048 119.156 119.070 0.223 0.000 2.589 357 H HA 0.422 4.978 4.556 -0.000 0.000 0.335 357 H C -1.041 174.451 175.328 0.273 0.000 1.019 357 H CA -0.660 55.568 56.048 0.299 0.000 1.213 357 H CB 1.423 31.403 29.762 0.364 0.000 1.472 357 H HN 0.143 nan 8.280 nan 0.000 0.508 358 V N 5.642 125.781 119.914 0.375 0.000 2.349 358 V HA 0.262 4.382 4.120 -0.000 0.000 0.284 358 V C -0.022 176.351 176.094 0.464 0.000 1.014 358 V CA -0.504 62.016 62.300 0.366 0.000 0.826 358 V CB 0.710 32.715 31.823 0.304 0.000 1.009 358 V HN 0.694 nan 8.190 nan 0.000 0.431 359 I N 6.064 126.903 120.570 0.448 0.000 2.315 359 I HA 0.469 4.639 4.170 -0.000 0.000 0.291 359 I C -0.417 175.977 176.117 0.462 0.000 1.006 359 I CA -0.206 61.358 61.300 0.441 0.000 1.265 359 I CB 1.273 39.439 38.000 0.276 0.000 1.387 359 I HN 0.425 nan 8.210 nan 0.000 0.475 360 I N 7.980 128.831 120.570 0.469 0.000 2.410 360 I HA 0.413 4.583 4.170 -0.000 0.000 0.286 360 I C -0.608 175.754 176.117 0.408 0.000 1.009 360 I CA -0.680 60.934 61.300 0.523 0.000 1.111 360 I CB 1.579 39.887 38.000 0.513 0.000 1.262 360 I HN 0.428 nan 8.210 nan 0.000 0.443 361 L N 3.559 125.039 121.223 0.428 0.000 2.436 361 L HA 0.751 5.091 4.340 -0.000 0.000 0.268 361 L C -1.257 175.838 176.870 0.376 0.000 0.974 361 L CA -0.908 54.142 54.840 0.350 0.000 0.826 361 L CB 2.023 44.262 42.059 0.300 0.000 1.291 361 L HN 0.402 nan 8.230 nan 0.000 0.406 362 M N 3.116 122.888 119.600 0.287 0.000 2.209 362 M HA 0.697 5.177 4.480 -0.000 0.000 0.355 362 M C 0.022 176.470 176.300 0.247 0.000 1.171 362 M CA 0.297 55.750 55.300 0.256 0.000 1.069 362 M CB 1.629 34.296 32.600 0.112 0.000 1.622 362 M HN 0.805 nan 8.290 nan 0.000 0.459 363 T N 0.236 114.938 114.554 0.245 0.000 2.977 363 T HA 0.273 4.623 4.350 -0.000 0.000 0.345 363 T C -0.333 174.482 174.700 0.192 0.000 1.562 363 T CA -0.723 61.514 62.100 0.227 0.000 1.090 363 T CB 0.791 69.836 68.868 0.294 0.000 1.383 363 T HN 0.797 nan 8.240 nan 0.000 0.484 364 D N 1.374 121.871 120.400 0.161 0.000 2.363 364 D HA 0.199 4.839 4.640 -0.000 0.000 0.220 364 D C 1.646 178.018 176.300 0.120 0.000 0.994 364 D CA 1.216 55.294 54.000 0.131 0.000 0.890 364 D CB -0.505 40.360 40.800 0.108 0.000 0.906 364 D HN 1.324 nan 8.370 nan 0.000 0.530 365 G N 0.298 109.190 108.800 0.153 0.000 2.184 365 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.264 365 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.264 365 G C 0.326 175.252 174.900 0.044 0.000 0.975 365 G CA 0.317 45.507 45.100 0.150 0.000 0.642 365 G HN 0.441 nan 8.290 nan 0.000 0.536 366 L N 2.577 123.819 121.223 0.033 0.000 2.536 366 L HA 0.331 4.671 4.340 -0.000 0.000 0.242 366 L C 1.120 177.971 176.870 -0.032 0.000 1.280 366 L CA -0.838 53.968 54.840 -0.058 0.000 1.221 366 L CB -0.682 41.376 42.059 -0.001 0.000 1.449 366 L HN 0.502 nan 8.230 nan 0.000 0.405 367 H N -0.922 118.191 119.070 0.072 0.000 2.615 367 H HA 0.285 4.841 4.556 -0.000 0.000 0.363 367 H C 0.537 175.889 175.328 0.040 0.000 1.148 367 H CA -0.694 55.394 56.048 0.067 0.000 1.401 367 H CB 0.575 30.377 29.762 0.065 0.000 1.461 367 H HN 0.347 nan 8.280 nan 0.000 0.588 368 N N 1.276 120.074 118.700 0.163 0.000 2.008 368 N HA 0.073 4.813 4.740 -0.000 0.000 0.228 368 N C -0.716 174.842 175.510 0.080 0.000 1.375 368 N CA -0.136 52.969 53.050 0.092 0.000 0.856 368 N CB 0.528 39.039 38.487 0.039 0.000 1.096 368 N HN 0.558 nan 8.380 nan 0.000 0.489 369 M N 0.036 119.682 119.600 0.077 0.000 2.253 369 M HA 0.609 5.089 4.480 -0.000 0.000 0.314 369 M C 0.422 176.728 176.300 0.010 0.000 1.019 369 M CA -0.174 55.141 55.300 0.024 0.000 0.932 369 M CB 2.443 35.031 32.600 -0.020 0.000 1.606 369 M HN 0.296 nan 8.290 nan 0.000 0.430 370 G N 1.411 110.208 108.800 -0.006 0.000 2.339 370 G HA2 0.043 4.003 3.960 -0.000 0.000 0.209 370 G HA3 0.043 4.003 3.960 -0.000 0.000 0.209 370 G C 0.405 175.281 174.900 -0.040 0.000 1.015 370 G CA -0.225 44.855 45.100 -0.035 0.000 0.635 370 G HN 1.504 nan 8.290 nan 0.000 0.499 371 G N 0.154 108.946 108.800 -0.014 0.000 2.501 371 G HA2 0.221 4.181 3.960 -0.000 0.000 0.213 371 G HA3 0.221 4.181 3.960 -0.000 0.000 0.213 371 G C -0.822 174.031 174.900 -0.079 0.000 1.158 371 G CA 0.787 45.883 45.100 -0.007 0.000 1.079 371 G HN 1.400 nan 8.290 nan 0.000 0.586 372 D N 1.987 122.336 120.400 -0.086 0.000 2.380 372 D HA 0.599 5.239 4.640 -0.000 0.000 0.230 372 D C -0.946 175.235 176.300 -0.198 0.000 1.154 372 D CA -1.978 51.940 54.000 -0.136 0.000 0.859 372 D CB 1.467 42.241 40.800 -0.042 0.000 1.045 372 D HN 0.019 nan 8.370 nan 0.000 0.495 373 P HA -0.043 nan 4.420 nan 0.000 0.225 373 P C 1.483 178.690 177.300 -0.155 0.000 1.148 373 P CA 0.635 63.587 63.100 -0.246 0.000 0.779 373 P CB 0.211 31.733 31.700 -0.297 0.000 0.780 374 I N -0.277 120.220 120.570 -0.121 0.000 2.264 374 I HA -0.277 3.892 4.170 -0.000 0.000 0.248 374 I C 2.323 178.390 176.117 -0.083 0.000 1.111 374 I CA 2.114 63.367 61.300 -0.079 0.000 1.382 374 I CB -1.483 36.487 38.000 -0.051 0.000 1.060 374 I HN 0.132 nan 8.210 nan 0.000 0.418 375 T N -1.025 113.474 114.554 -0.092 0.000 2.737 375 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 375 T C 1.771 176.402 174.700 -0.116 0.000 1.040 375 T CA 1.509 63.552 62.100 -0.095 0.000 1.142 375 T CB -0.972 67.838 68.868 -0.097 0.000 0.861 375 T HN 0.198 nan 8.240 nan 0.000 0.456 376 V N 1.641 121.477 119.914 -0.130 0.000 2.379 376 V HA -0.062 4.058 4.120 -0.000 0.000 0.245 376 V C 2.774 178.807 176.094 -0.101 0.000 1.044 376 V CA 0.998 63.208 62.300 -0.149 0.000 1.036 376 V CB -0.666 31.067 31.823 -0.150 0.000 0.664 376 V HN 0.420 nan 8.190 nan 0.000 0.453 377 I N 0.746 121.268 120.570 -0.080 0.000 2.208 377 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 377 I C 2.292 178.383 176.117 -0.043 0.000 1.097 377 I CA 1.806 63.074 61.300 -0.054 0.000 1.363 377 I CB -1.308 36.660 38.000 -0.053 0.000 1.051 377 I HN 0.351 nan 8.210 nan 0.000 0.413 378 D N 0.807 121.174 120.400 -0.055 0.000 2.117 378 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 378 D C 2.127 178.403 176.300 -0.040 0.000 0.987 378 D CA 1.063 55.034 54.000 -0.047 0.000 0.829 378 D CB -0.230 40.537 40.800 -0.055 0.000 0.961 378 D HN 0.470 nan 8.370 nan 0.000 0.460 379 E N 0.127 120.288 120.200 -0.064 0.000 2.153 379 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 379 E C 2.278 178.942 176.600 0.108 0.000 0.988 379 E CA 0.438 56.804 56.400 -0.057 0.000 0.811 379 E CB -0.022 29.523 29.700 -0.259 0.000 0.746 379 E HN 0.351 nan 8.360 nan 0.000 0.466 380 I N 0.765 121.397 120.570 0.102 0.000 2.252 380 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 380 I C 2.418 178.549 176.117 0.023 0.000 1.102 380 I CA 1.002 62.357 61.300 0.092 0.000 1.385 380 I CB -0.231 37.779 38.000 0.017 0.000 1.064 380 I HN 0.022 nan 8.210 nan 0.000 0.414 381 R N 0.759 121.269 120.500 0.016 0.000 2.081 381 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 381 R C 1.795 178.111 176.300 0.026 0.000 1.131 381 R CA 1.596 57.707 56.100 0.018 0.000 0.960 381 R CB -0.347 29.949 30.300 -0.005 0.000 0.856 381 R HN 0.341 nan 8.270 nan 0.000 0.436 382 D N 0.570 120.980 120.400 0.016 0.000 2.178 382 D HA -0.120 4.520 4.640 -0.000 0.000 0.202 382 D C 1.722 178.060 176.300 0.065 0.000 0.974 382 D CA 0.684 54.694 54.000 0.017 0.000 0.841 382 D CB -0.091 40.709 40.800 0.000 0.000 0.953 382 D HN 0.054 nan 8.370 nan 0.000 0.478 383 L N 0.082 121.329 121.223 0.039 0.000 2.156 383 L HA 0.023 4.363 4.340 -0.000 0.000 0.208 383 L C 1.640 178.564 176.870 0.090 0.000 1.095 383 L CA 1.326 56.128 54.840 -0.063 0.000 0.770 383 L CB -0.135 41.748 42.059 -0.293 0.000 0.914 383 L HN -0.018 nan 8.230 nan 0.000 0.439 384 L N -1.919 119.398 121.223 0.157 0.000 2.592 384 L HA 0.065 4.405 4.340 -0.000 0.000 0.227 384 L C 0.109 177.262 176.870 0.472 0.000 1.127 384 L CA -0.276 54.768 54.840 0.340 0.000 0.884 384 L CB -0.367 41.817 42.059 0.207 0.000 1.065 384 L HN 0.191 nan 8.230 nan 0.000 0.457 385 Y N 1.339 121.765 120.300 0.209 0.000 3.027 385 Y HA -0.254 4.296 4.550 -0.000 0.000 0.195 385 Y C -0.296 175.686 175.900 0.137 0.000 1.381 385 Y CA -0.119 58.092 58.100 0.185 0.000 1.015 385 Y CB -1.279 37.356 38.460 0.292 0.000 1.329 385 Y HN 0.110 nan 8.280 nan 0.000 0.462 386 I N 1.138 121.737 120.570 0.049 0.000 2.441 386 I HA 0.506 4.676 4.170 -0.000 0.000 0.295 386 I C 1.304 177.394 176.117 -0.046 0.000 0.994 386 I CA -0.277 61.051 61.300 0.047 0.000 1.144 386 I CB 1.683 39.740 38.000 0.095 0.000 1.314 386 I HN 0.470 nan 8.210 nan 0.000 0.445 387 G N 4.351 113.134 108.800 -0.028 0.000 2.166 387 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 387 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 387 G C 0.574 175.407 174.900 -0.112 0.000 0.986 387 G CA 0.220 45.292 45.100 -0.047 0.000 0.683 387 G HN 0.726 nan 8.290 nan 0.000 0.527 388 K N -0.166 120.094 120.400 -0.233 0.000 2.440 388 K HA 0.275 4.595 4.320 -0.000 0.000 0.206 388 K C -0.343 176.114 176.600 -0.239 0.000 1.025 388 K CA -0.036 56.038 56.287 -0.354 0.000 1.135 388 K CB 0.676 32.724 32.500 -0.754 0.000 0.856 388 K HN 0.249 nan 8.250 nan 0.000 0.502 389 D N 0.712 121.068 120.400 -0.074 0.000 2.763 389 D HA 0.065 4.705 4.640 -0.000 0.000 0.235 389 D C 0.735 177.056 176.300 0.035 0.000 1.334 389 D CA -0.515 53.513 54.000 0.046 0.000 0.950 389 D CB 1.113 42.022 40.800 0.182 0.000 1.433 389 D HN 0.070 nan 8.370 nan 0.000 0.580 390 R N 3.125 123.640 120.500 0.024 0.000 2.152 390 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 390 R C 1.363 177.674 176.300 0.019 0.000 1.117 390 R CA 0.938 57.046 56.100 0.012 0.000 0.981 390 R CB 0.140 30.441 30.300 0.001 0.000 0.870 390 R HN 0.220 nan 8.270 nan 0.000 0.451 391 K N 0.312 120.732 120.400 0.033 0.000 2.308 391 K HA 0.007 4.327 4.320 -0.000 0.000 0.197 391 K C -0.028 176.602 176.600 0.050 0.000 1.049 391 K CA 0.318 56.623 56.287 0.031 0.000 0.991 391 K CB 0.404 32.919 32.500 0.026 0.000 0.836 391 K HN 0.047 nan 8.250 nan 0.000 0.500 392 N N 0.835 119.580 118.700 0.075 0.000 2.762 392 N HA 0.223 4.963 4.740 -0.000 0.000 0.252 392 N C -2.481 173.098 175.510 0.115 0.000 1.269 392 N CA -2.122 50.988 53.050 0.099 0.000 0.799 392 N CB 1.629 40.181 38.487 0.108 0.000 1.173 392 N HN -0.130 nan 8.380 nan 0.000 0.516 393 P HA -0.068 nan 4.420 nan 0.000 0.215 393 P C -0.333 177.046 177.300 0.132 0.000 1.153 393 P CA 0.980 64.132 63.100 0.086 0.000 0.853 393 P CB 0.191 31.933 31.700 0.070 0.000 0.788 394 R N -1.744 118.874 120.500 0.197 0.000 3.651 394 R HA -0.174 4.166 4.340 -0.000 0.000 0.292 394 R C 0.642 177.140 176.300 0.330 0.000 1.161 394 R CA 0.279 56.587 56.100 0.347 0.000 0.787 394 R CB -1.929 28.509 30.300 0.230 0.000 1.249 394 R HN 0.313 nan 8.270 nan 0.000 0.476 395 E N 0.316 120.625 120.200 0.183 0.000 2.347 395 E HA -0.128 4.222 4.350 -0.000 0.000 0.196 395 E C 1.137 177.789 176.600 0.086 0.000 1.008 395 E CA 0.843 57.310 56.400 0.112 0.000 0.852 395 E CB -0.002 29.730 29.700 0.053 0.000 0.783 395 E HN 0.346 nan 8.360 nan 0.000 0.505 396 D N -0.736 119.696 120.400 0.053 0.000 2.349 396 D HA -0.098 4.542 4.640 -0.000 0.000 0.224 396 D C 0.284 176.466 176.300 -0.197 0.000 1.029 396 D CA 0.291 54.226 54.000 -0.109 0.000 0.879 396 D CB -0.054 40.612 40.800 -0.223 0.000 0.906 396 D HN 0.161 nan 8.370 nan 0.000 0.528 397 Y N -0.354 119.995 120.300 0.082 0.000 2.571 397 Y HA 0.370 4.920 4.550 -0.000 0.000 0.275 397 Y C -0.174 175.839 175.900 0.189 0.000 1.179 397 Y CA -0.474 57.705 58.100 0.132 0.000 1.242 397 Y CB 0.651 39.206 38.460 0.158 0.000 1.126 397 Y HN -0.121 nan 8.280 nan 0.000 0.524 398 L N 0.766 122.118 121.223 0.216 0.000 2.710 398 L HA 0.465 4.805 4.340 -0.000 0.000 0.262 398 L C -2.142 174.762 176.870 0.056 0.000 0.940 398 L CA -0.562 54.385 54.840 0.178 0.000 0.944 398 L CB 1.422 43.570 42.059 0.149 0.000 1.348 398 L HN -0.158 nan 8.230 nan 0.000 0.425 399 D N 3.647 124.084 120.400 0.062 0.000 2.649 399 D HA 0.675 5.315 4.640 -0.000 0.000 0.249 399 D C -1.002 175.235 176.300 -0.105 0.000 1.112 399 D CA 0.017 53.959 54.000 -0.096 0.000 0.850 399 D CB 2.931 43.728 40.800 -0.004 0.000 1.399 399 D HN 0.228 nan 8.370 nan 0.000 0.503 400 V N 3.369 123.102 119.914 -0.302 0.000 2.325 400 V HA 0.287 4.407 4.120 -0.000 0.000 0.280 400 V C -1.002 175.031 176.094 -0.101 0.000 1.016 400 V CA -0.739 61.496 62.300 -0.108 0.000 0.818 400 V CB 0.123 31.896 31.823 -0.082 0.000 1.019 400 V HN 0.396 nan 8.190 nan 0.000 0.434 401 Y N 3.227 123.739 120.300 0.352 0.000 2.320 401 Y HA 0.658 5.208 4.550 -0.000 0.000 0.334 401 Y C 0.208 176.304 175.900 0.327 0.000 1.055 401 Y CA -0.762 57.597 58.100 0.432 0.000 1.143 401 Y CB 1.765 40.666 38.460 0.735 0.000 1.193 401 Y HN 0.356 nan 8.280 nan 0.000 0.477 402 V N 4.546 124.610 119.914 0.250 0.000 2.604 402 V HA 0.483 4.603 4.120 -0.000 0.000 0.305 402 V C -0.945 175.133 176.094 -0.026 0.000 1.043 402 V CA -1.207 61.209 62.300 0.194 0.000 0.888 402 V CB 1.584 33.488 31.823 0.134 0.000 0.995 402 V HN 0.479 nan 8.190 nan 0.000 0.429 403 F N 1.450 121.581 119.950 0.302 0.000 2.539 403 F HA 0.680 5.207 4.527 -0.000 0.000 0.318 403 F C 0.775 176.685 175.800 0.184 0.000 1.135 403 F CA -0.622 57.534 58.000 0.261 0.000 0.915 403 F CB 2.002 41.114 39.000 0.186 0.000 1.176 403 F HN 0.590 nan 8.300 nan 0.000 0.440 404 G N 1.370 110.357 108.800 0.310 0.000 2.349 404 G HA2 0.465 4.425 3.960 -0.000 0.000 0.281 404 G HA3 0.465 4.425 3.960 -0.000 0.000 0.281 404 G C 0.510 175.528 174.900 0.197 0.000 1.182 404 G CA -0.200 45.031 45.100 0.219 0.000 0.899 404 G HN 0.706 nan 8.290 nan 0.000 0.455 405 V N 1.123 121.133 119.914 0.160 0.000 3.090 405 V HA 0.455 4.575 4.120 -0.000 0.000 0.237 405 V C 1.415 177.569 176.094 0.101 0.000 1.209 405 V CA 0.752 63.122 62.300 0.117 0.000 1.209 405 V CB -0.874 31.006 31.823 0.095 0.000 0.971 405 V HN 0.743 nan 8.190 nan 0.000 0.477 406 G N 1.553 110.420 108.800 0.111 0.000 2.554 406 G HA2 0.359 4.319 3.960 -0.000 0.000 0.238 406 G HA3 0.359 4.319 3.960 -0.000 0.000 0.238 406 G C -1.314 173.639 174.900 0.089 0.000 1.259 406 G CA 0.040 45.199 45.100 0.098 0.000 0.843 406 G HN 0.336 nan 8.290 nan 0.000 0.582 407 P HA -0.067 nan 4.420 nan 0.000 0.214 407 P C 0.470 177.823 177.300 0.089 0.000 1.163 407 P CA 0.852 64.000 63.100 0.079 0.000 0.889 407 P CB 0.126 31.870 31.700 0.074 0.000 0.790 408 L N -0.084 121.191 121.223 0.086 0.000 2.259 408 L HA 0.292 4.632 4.340 -0.000 0.000 0.288 408 L C -0.049 176.868 176.870 0.079 0.000 1.051 408 L CA -0.425 54.465 54.840 0.083 0.000 0.824 408 L CB 0.454 42.559 42.059 0.076 0.000 1.206 408 L HN -0.180 nan 8.230 nan 0.000 0.429 409 V N 5.293 125.257 119.914 0.083 0.000 2.384 409 V HA 0.426 4.546 4.120 -0.000 0.000 0.287 409 V C 0.070 176.203 176.094 0.066 0.000 1.020 409 V CA -0.638 61.712 62.300 0.083 0.000 0.850 409 V CB 1.863 33.747 31.823 0.101 0.000 0.987 409 V HN 0.805 nan 8.190 nan 0.000 0.436 410 N N 5.150 123.882 118.700 0.053 0.000 2.482 410 N HA 0.230 4.970 4.740 -0.000 0.000 0.242 410 N C 0.960 176.495 175.510 0.041 0.000 1.100 410 N CA 0.234 53.305 53.050 0.035 0.000 0.946 410 N CB 1.103 39.595 38.487 0.007 0.000 1.227 410 N HN 0.784 nan 8.380 nan 0.000 0.508 411 Q N 1.635 121.455 119.800 0.033 0.000 2.226 411 Q HA -0.108 4.232 4.340 -0.000 0.000 0.204 411 Q C 1.433 177.443 176.000 0.016 0.000 0.975 411 Q CA 1.073 56.889 55.803 0.022 0.000 0.866 411 Q CB 0.229 28.970 28.738 0.004 0.000 0.915 411 Q HN 0.479 nan 8.270 nan 0.000 0.440 412 V N 1.601 121.527 119.914 0.019 0.000 2.295 412 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 412 V C 1.647 177.762 176.094 0.034 0.000 1.049 412 V CA 1.954 64.266 62.300 0.020 0.000 1.024 412 V CB -0.521 31.315 31.823 0.022 0.000 0.648 412 V HN 0.396 nan 8.190 nan 0.000 0.447 413 N N 0.698 119.430 118.700 0.053 0.000 2.135 413 N HA -0.049 4.691 4.740 -0.000 0.000 0.186 413 N C 1.851 177.414 175.510 0.089 0.000 1.027 413 N CA 1.784 54.892 53.050 0.097 0.000 0.849 413 N CB -0.538 38.036 38.487 0.145 0.000 1.002 413 N HN 0.686 nan 8.380 nan 0.000 0.425 414 I N -1.189 119.429 120.570 0.080 0.000 2.700 414 I HA -0.111 4.059 4.170 -0.000 0.000 0.261 414 I C 1.768 177.905 176.117 0.034 0.000 1.219 414 I CA 1.457 62.803 61.300 0.076 0.000 1.463 414 I CB -0.268 37.782 38.000 0.084 0.000 1.092 414 I HN -0.071 nan 8.210 nan 0.000 0.452 415 N N 2.141 120.848 118.700 0.013 0.000 2.336 415 N HA 0.025 4.765 4.740 -0.000 0.000 0.177 415 N C 1.885 177.383 175.510 -0.020 0.000 1.018 415 N CA 1.543 54.581 53.050 -0.019 0.000 0.878 415 N CB -0.091 38.378 38.487 -0.030 0.000 0.997 415 N HN 0.422 nan 8.380 nan 0.000 0.433 416 A N 0.426 123.246 122.820 0.000 0.000 2.019 416 A HA 0.017 4.337 4.320 -0.000 0.000 0.219 416 A C 2.180 179.754 177.584 -0.016 0.000 1.164 416 A CA 0.851 52.886 52.037 -0.005 0.000 0.644 416 A CB -0.497 18.513 19.000 0.016 0.000 0.805 416 A HN 0.360 nan 8.150 nan 0.000 0.449 417 L N -1.003 120.217 121.223 -0.005 0.000 2.145 417 L HA 0.154 4.494 4.340 -0.000 0.000 0.201 417 L C 1.709 178.557 176.870 -0.038 0.000 1.075 417 L CA 0.233 55.066 54.840 -0.013 0.000 0.773 417 L CB -0.651 41.419 42.059 0.019 0.000 0.936 417 L HN 0.351 nan 8.230 nan 0.000 0.451 418 A N 0.386 123.185 122.820 -0.035 0.000 2.520 418 A HA 0.197 4.517 4.320 -0.000 0.000 0.235 418 A C 0.539 178.012 177.584 -0.185 0.000 1.065 418 A CA -0.034 51.955 52.037 -0.080 0.000 0.764 418 A CB 0.082 19.060 19.000 -0.037 0.000 1.002 418 A HN 0.249 nan 8.150 nan 0.000 0.502 419 S N 0.504 115.961 115.700 -0.406 0.000 2.593 419 S HA 0.374 4.844 4.470 -0.000 0.000 0.269 419 S C -0.146 174.192 174.600 -0.436 0.000 1.334 419 S CA -0.137 57.749 58.200 -0.524 0.000 1.015 419 S CB 0.595 63.312 63.200 -0.806 0.000 0.912 419 S HN 0.509 nan 8.310 nan 0.000 0.541 420 K N 2.078 122.332 120.400 -0.244 0.000 2.530 420 K HA 0.349 4.668 4.320 -0.000 0.000 0.230 420 K C -0.729 175.845 176.600 -0.043 0.000 1.002 420 K CA -0.119 56.112 56.287 -0.093 0.000 1.014 420 K CB 0.934 33.393 32.500 -0.069 0.000 1.286 420 K HN 0.324 nan 8.250 nan 0.000 0.480 421 K N 0.983 121.409 120.400 0.044 0.000 2.203 421 K HA 0.229 4.549 4.320 -0.000 0.000 0.251 421 K C -0.696 175.931 176.600 0.045 0.000 0.944 421 K CA -1.153 55.171 56.287 0.061 0.000 0.829 421 K CB 1.497 34.077 32.500 0.132 0.000 1.125 421 K HN 0.397 nan 8.250 nan 0.000 0.430 422 D N 1.960 122.374 120.400 0.024 0.000 2.493 422 D HA -0.082 4.558 4.640 -0.000 0.000 0.240 422 D C 0.458 176.753 176.300 -0.008 0.000 1.142 422 D CA 1.032 55.037 54.000 0.009 0.000 0.872 422 D CB 0.241 41.052 40.800 0.018 0.000 1.173 422 D HN 0.575 nan 8.370 nan 0.000 0.467 423 N N 2.098 120.783 118.700 -0.025 0.000 2.714 423 N HA -0.238 4.501 4.740 -0.000 0.000 0.250 423 N C -1.248 174.241 175.510 -0.036 0.000 1.117 423 N CA 1.061 54.090 53.050 -0.036 0.000 0.719 423 N CB -0.722 37.744 38.487 -0.036 0.000 1.081 423 N HN 0.693 nan 8.380 nan 0.000 0.557 424 E N 0.039 120.219 120.200 -0.034 0.000 2.314 424 E HA 0.284 4.634 4.350 -0.000 0.000 0.272 424 E C -0.777 175.755 176.600 -0.115 0.000 0.884 424 E CA -0.628 55.730 56.400 -0.070 0.000 0.753 424 E CB 1.948 31.617 29.700 -0.050 0.000 1.213 424 E HN 0.223 nan 8.360 nan 0.000 0.432 425 Q N 2.315 122.003 119.800 -0.186 0.000 2.316 425 Q HA 0.263 4.603 4.340 -0.000 0.000 0.264 425 Q C -0.266 175.472 176.000 -0.436 0.000 0.987 425 Q CA -0.363 55.281 55.803 -0.266 0.000 0.852 425 Q CB 0.817 29.409 28.738 -0.244 0.000 1.287 425 Q HN 0.705 nan 8.270 nan 0.000 0.448 426 H N 1.793 120.678 119.070 -0.309 0.000 3.241 426 H HA 0.205 4.761 4.556 -0.000 0.000 0.260 426 H C -0.302 174.762 175.328 -0.441 0.000 1.084 426 H CA 0.228 56.170 56.048 -0.177 0.000 1.203 426 H CB 1.331 30.971 29.762 -0.204 0.000 1.524 426 H HN 0.269 nan 8.280 nan 0.000 0.521 427 V N 2.645 122.215 119.914 -0.573 0.000 2.407 427 V HA 0.219 4.339 4.120 -0.000 0.000 0.278 427 V C -0.658 174.952 176.094 -0.806 0.000 1.037 427 V CA -0.101 61.908 62.300 -0.484 0.000 0.900 427 V CB 0.666 32.340 31.823 -0.248 0.000 0.983 427 V HN 0.039 nan 8.190 nan 0.000 0.459 428 F N 3.334 123.190 119.950 -0.157 0.000 2.556 428 F HA 0.628 5.155 4.527 -0.000 0.000 0.314 428 F C 0.006 175.831 175.800 0.041 0.000 1.106 428 F CA -0.873 57.080 58.000 -0.080 0.000 0.911 428 F CB 2.114 41.005 39.000 -0.181 0.000 1.190 428 F HN 0.302 nan 8.300 nan 0.000 0.448 429 K N 3.628 124.192 120.400 0.274 0.000 2.764 429 K HA 0.493 4.813 4.320 -0.000 0.000 0.239 429 K C -1.115 175.643 176.600 0.262 0.000 1.048 429 K CA -0.458 55.970 56.287 0.236 0.000 1.057 429 K CB 1.147 33.741 32.500 0.158 0.000 1.251 429 K HN 0.598 nan 8.250 nan 0.000 0.524 430 V N 0.446 120.514 119.914 0.256 0.000 3.319 430 V HA 0.175 4.295 4.120 -0.000 0.000 0.303 430 V C 1.610 177.780 176.094 0.127 0.000 1.094 430 V CA -0.221 62.203 62.300 0.207 0.000 1.106 430 V CB 1.241 33.160 31.823 0.160 0.000 1.099 430 V HN 0.836 nan 8.190 nan 0.000 0.476 431 K N 0.779 121.168 120.400 -0.017 0.000 1.965 431 K HA -0.112 4.208 4.320 -0.000 0.000 0.214 431 K C 0.554 177.118 176.600 -0.059 0.000 1.046 431 K CA 1.977 58.146 56.287 -0.198 0.000 0.944 431 K CB -0.094 32.152 32.500 -0.424 0.000 0.726 431 K HN 1.102 nan 8.250 nan 0.000 0.441 432 D N -1.905 118.473 120.400 -0.036 0.000 2.614 432 D HA 0.025 4.665 4.640 -0.000 0.000 0.264 432 D C 0.681 176.988 176.300 0.011 0.000 1.092 432 D CA -0.636 53.361 54.000 -0.005 0.000 1.071 432 D CB 0.387 41.177 40.800 -0.018 0.000 1.443 432 D HN 0.020 nan 8.370 nan 0.000 0.528 433 M N 0.177 119.781 119.600 0.007 0.000 2.159 433 M HA -0.062 4.418 4.480 -0.000 0.000 0.263 433 M C 1.687 177.987 176.300 0.000 0.000 1.063 433 M CA 1.887 57.185 55.300 -0.004 0.000 1.110 433 M CB -0.724 31.866 32.600 -0.018 0.000 1.374 433 M HN 0.652 nan 8.290 nan 0.000 0.411 434 E N -0.477 119.727 120.200 0.006 0.000 2.118 434 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 434 E C 1.462 178.089 176.600 0.046 0.000 0.992 434 E CA 1.599 58.013 56.400 0.023 0.000 0.804 434 E CB -0.071 29.633 29.700 0.007 0.000 0.741 434 E HN 0.571 nan 8.360 nan 0.000 0.458 435 N N 0.531 119.251 118.700 0.032 0.000 2.216 435 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 435 N C 1.730 177.281 175.510 0.070 0.000 1.017 435 N CA 0.531 53.609 53.050 0.048 0.000 0.861 435 N CB -0.348 38.154 38.487 0.026 0.000 0.986 435 N HN 0.179 nan 8.380 nan 0.000 0.428 436 L N 1.797 123.053 121.223 0.055 0.000 2.131 436 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 436 L C 1.737 178.632 176.870 0.042 0.000 1.092 436 L CA 1.653 56.523 54.840 0.050 0.000 0.759 436 L CB -0.432 41.628 42.059 0.001 0.000 0.903 436 L HN 0.162 nan 8.230 nan 0.000 0.435 437 E N -0.710 119.504 120.200 0.022 0.000 2.047 437 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 437 E C 1.709 178.400 176.600 0.152 0.000 0.987 437 E CA 1.216 57.612 56.400 -0.007 0.000 0.799 437 E CB -0.188 29.594 29.700 0.136 0.000 0.752 437 E HN 0.512 nan 8.360 nan 0.000 0.449 438 D N 0.594 121.173 120.400 0.298 0.000 2.221 438 D HA -0.133 4.507 4.640 -0.000 0.000 0.204 438 D C 1.971 178.375 176.300 0.175 0.000 0.982 438 D CA 0.606 54.802 54.000 0.327 0.000 0.857 438 D CB -0.215 40.681 40.800 0.159 0.000 0.934 438 D HN 0.021 nan 8.370 nan 0.000 0.475 439 V N 0.115 120.087 119.914 0.098 0.000 2.407 439 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 439 V C 1.764 177.731 176.094 -0.212 0.000 1.055 439 V CA 1.333 63.599 62.300 -0.057 0.000 1.049 439 V CB -0.445 31.313 31.823 -0.107 0.000 0.662 439 V HN 0.116 nan 8.190 nan 0.000 0.455 440 F N -2.417 117.389 119.950 -0.240 0.000 2.746 440 F HA 0.196 4.723 4.527 -0.000 0.000 0.297 440 F C 1.899 177.545 175.800 -0.256 0.000 1.113 440 F CA -0.107 57.715 58.000 -0.296 0.000 1.367 440 F CB -0.402 38.345 39.000 -0.422 0.000 1.111 440 F HN 0.100 nan 8.300 nan 0.000 0.590 441 Y N 0.088 120.423 120.300 0.060 0.000 2.243 441 Y HA -0.158 4.392 4.550 -0.000 0.000 0.293 441 Y C 2.592 178.484 175.900 -0.013 0.000 1.124 441 Y CA 1.346 59.453 58.100 0.012 0.000 1.159 441 Y CB -0.800 37.660 38.460 0.000 0.000 1.008 441 Y HN 0.084 nan 8.280 nan 0.000 0.527 442 Q N -0.117 119.759 119.800 0.127 0.000 2.226 442 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 442 Q C 1.879 177.885 176.000 0.009 0.000 0.975 442 Q CA 1.282 57.116 55.803 0.051 0.000 0.866 442 Q CB -0.072 28.681 28.738 0.025 0.000 0.915 442 Q HN 0.499 nan 8.270 nan 0.000 0.440 443 M N -0.203 119.383 119.600 -0.025 0.000 2.098 443 M HA -0.133 4.347 4.480 -0.000 0.000 0.262 443 M C 2.108 178.387 176.300 -0.035 0.000 1.072 443 M CA 1.264 56.539 55.300 -0.042 0.000 1.133 443 M CB -0.236 32.309 32.600 -0.092 0.000 1.344 443 M HN 0.230 nan 8.290 nan 0.000 0.414 444 I N 0.571 121.128 120.570 -0.021 0.000 2.248 444 I HA -0.334 3.836 4.170 -0.000 0.000 0.248 444 I C 1.679 177.774 176.117 -0.036 0.000 1.107 444 I CA 1.215 62.494 61.300 -0.034 0.000 1.373 444 I CB -0.728 37.274 38.000 0.003 0.000 1.055 444 I HN 0.314 nan 8.210 nan 0.000 0.418 445 D N 0.334 120.731 120.400 -0.006 0.000 2.120 445 D HA -0.073 4.567 4.640 -0.000 0.000 0.202 445 D C 1.146 177.435 176.300 -0.018 0.000 0.972 445 D CA 0.582 54.577 54.000 -0.007 0.000 0.837 445 D CB -0.209 40.597 40.800 0.010 0.000 0.989 445 D HN 0.363 nan 8.370 nan 0.000 0.469 446 E N 0.729 120.922 120.200 -0.012 0.000 2.373 446 E HA 0.162 4.512 4.350 -0.000 0.000 0.267 446 E C -0.632 175.959 176.600 -0.015 0.000 1.032 446 E CA -0.106 56.291 56.400 -0.005 0.000 0.889 446 E CB 0.496 30.201 29.700 0.008 0.000 0.984 446 E HN -0.026 nan 8.360 nan 0.000 0.425 447 S N 3.903 119.605 115.700 0.004 0.000 2.158 447 S HA 0.208 4.678 4.470 -0.000 0.000 0.160 447 S C -0.387 174.253 174.600 0.067 0.000 1.693 447 S CA -0.917 57.295 58.200 0.019 0.000 1.251 447 S CB 0.697 63.894 63.200 -0.006 0.000 1.153 447 S HN 0.531 nan 8.310 nan 0.000 0.439 448 Q N 2.173 122.034 119.800 0.101 0.000 2.369 448 Q HA 0.140 4.480 4.340 -0.000 0.000 0.295 448 Q C 0.312 176.358 176.000 0.076 0.000 1.075 448 Q CA 0.274 56.123 55.803 0.077 0.000 0.941 448 Q CB 0.362 29.143 28.738 0.072 0.000 1.260 448 Q HN 0.863 nan 8.270 nan 0.000 0.417 449 S N 2.255 117.975 115.700 0.035 0.000 2.481 449 S HA 0.178 4.648 4.470 -0.000 0.000 0.282 449 S C -0.128 174.476 174.600 0.007 0.000 1.243 449 S CA -0.445 57.767 58.200 0.020 0.000 1.078 449 S CB 0.111 63.308 63.200 -0.004 0.000 0.916 449 S HN 0.459 nan 8.310 nan 0.000 0.495 450 L N 3.797 125.031 121.223 0.017 0.000 2.321 450 L HA 0.358 4.698 4.340 -0.000 0.000 0.272 450 L C -0.042 176.815 176.870 -0.021 0.000 1.050 450 L CA -0.286 54.546 54.840 -0.013 0.000 0.893 450 L CB 0.524 42.579 42.059 -0.005 0.000 1.272 450 L HN 0.664 nan 8.230 nan 0.000 0.435 451 S N 3.149 118.824 115.700 -0.042 0.000 2.532 451 S HA 0.601 5.071 4.470 -0.000 0.000 0.301 451 S C 0.008 174.565 174.600 -0.070 0.000 1.083 451 S CA -0.569 57.599 58.200 -0.053 0.000 1.025 451 S CB 2.189 65.350 63.200 -0.063 0.000 1.056 451 S HN 0.413 nan 8.310 nan 0.000 0.494 452 L N 2.397 123.568 121.223 -0.086 0.000 2.719 452 L HA 0.320 4.660 4.340 -0.000 0.000 0.236 452 L C -0.098 176.709 176.870 -0.105 0.000 1.221 452 L CA -0.612 54.176 54.840 -0.086 0.000 1.048 452 L CB -0.157 41.854 42.059 -0.079 0.000 1.364 452 L HN 0.750 nan 8.230 nan 0.000 0.447 453 c N -1.263 117.281 118.600 -0.095 0.000 2.463 453 c HA 0.741 5.311 4.570 -0.000 0.000 0.380 453 c C 1.568 175.627 174.090 -0.051 0.000 1.264 453 c CA -0.154 56.120 56.329 -0.093 0.000 2.161 453 c CB 0.339 42.783 42.510 -0.111 0.000 2.515 453 c HN 0.990 nan 8.230 nan 0.000 0.565 454 G N 3.615 112.395 108.800 -0.034 0.000 2.323 454 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.292 454 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.292 454 G C -0.149 174.870 174.900 0.198 0.000 1.040 454 G CA 0.534 45.631 45.100 -0.005 0.000 0.942 454 G HN 0.826 nan 8.290 nan 0.000 0.506 455 M N -0.753 118.962 119.600 0.192 0.000 2.537 455 M HA 0.563 5.043 4.480 -0.000 0.000 0.324 455 M C 0.128 176.580 176.300 0.252 0.000 1.187 455 M CA -0.936 54.485 55.300 0.201 0.000 0.993 455 M CB 1.949 34.593 32.600 0.073 0.000 1.666 455 M HN -0.063 nan 8.290 nan 0.000 0.461 456 V N 1.605 121.662 119.914 0.237 0.000 2.350 456 V HA 0.544 4.664 4.120 -0.000 0.000 0.285 456 V C -0.192 175.965 176.094 0.106 0.000 1.014 456 V CA -0.457 61.943 62.300 0.166 0.000 0.831 456 V CB 0.821 32.776 31.823 0.221 0.000 1.000 456 V HN 0.867 nan 8.190 nan 0.000 0.433 457 W N 2.189 123.532 121.300 0.071 0.000 2.469 457 W HA 0.742 5.402 4.660 -0.000 0.000 0.320 457 W C 0.291 176.856 176.519 0.076 0.000 1.086 457 W CA -0.260 57.121 57.345 0.060 0.000 1.211 457 W CB -0.050 29.437 29.460 0.044 0.000 1.298 457 W HN 1.424 nan 8.180 nan 0.000 0.525 465 Y N -1.301 118.905 120.300 -0.158 0.000 4.893 465 Y HA -0.330 4.220 4.550 -0.000 0.000 0.257 465 Y C 1.459 177.141 175.900 -0.363 0.000 0.958 465 Y CA 1.659 59.586 58.100 -0.289 0.000 1.897 465 Y CB -1.897 36.403 38.460 -0.267 0.000 1.352 465 Y HN 0.587 nan 8.280 nan 0.000 0.499 466 H N -0.936 118.088 119.070 -0.076 0.000 2.525 466 H HA 0.109 4.665 4.556 -0.000 0.000 0.275 466 H C 1.681 176.908 175.328 -0.168 0.000 0.984 466 H CA 1.343 57.335 56.048 -0.094 0.000 1.264 466 H CB 0.140 29.871 29.762 -0.052 0.000 1.432 466 H HN 0.362 nan 8.280 nan 0.000 0.549 467 K N -0.076 120.239 120.400 -0.142 0.000 2.334 467 K HA 0.093 4.413 4.320 -0.000 0.000 0.195 467 K C -0.125 176.114 176.600 -0.602 0.000 1.045 467 K CA 0.445 56.587 56.287 -0.242 0.000 1.004 467 K CB 0.728 33.126 32.500 -0.170 0.000 0.837 467 K HN 0.122 nan 8.250 nan 0.000 0.510 468 Q N -0.273 119.046 119.800 -0.803 0.000 3.300 468 Q HA 0.164 4.504 4.340 -0.000 0.000 0.271 468 Q C -2.403 172.855 176.000 -1.236 0.000 0.926 468 Q CA -1.433 53.428 55.803 -1.570 0.000 0.788 468 Q CB 1.483 29.503 28.738 -1.197 0.000 1.385 468 Q HN -0.088 nan 8.270 nan 0.000 0.424 469 P HA -0.176 nan 4.420 nan 0.000 0.218 469 P C 0.571 177.753 177.300 -0.197 0.000 1.149 469 P CA 1.027 63.920 63.100 -0.345 0.000 0.817 469 P CB -0.009 31.601 31.700 -0.150 0.000 0.785 470 W N -0.291 120.985 121.300 -0.039 0.000 2.425 470 W HA 0.034 4.694 4.660 -0.000 0.000 0.277 470 W C 0.685 177.221 176.519 0.027 0.000 1.231 470 W CA -0.095 57.246 57.345 -0.006 0.000 1.248 470 W CB -1.971 27.469 29.460 -0.034 0.000 1.117 470 W HN -0.147 nan 8.180 nan 0.000 0.568 471 Q N 2.250 121.847 119.800 -0.339 0.000 2.269 471 Q HA 0.313 4.653 4.340 -0.000 0.000 0.300 471 Q C -0.490 175.567 176.000 0.094 0.000 1.070 471 Q CA 0.909 56.644 55.803 -0.112 0.000 0.957 471 Q CB 0.587 29.083 28.738 -0.404 0.000 1.131 471 Q HN 0.316 nan 8.270 nan 0.000 0.377 472 A N 4.602 127.511 122.820 0.148 0.000 2.386 472 A HA 0.649 4.969 4.320 -0.000 0.000 0.311 472 A C -1.217 176.458 177.584 0.151 0.000 1.068 472 A CA -0.811 51.324 52.037 0.164 0.000 0.743 472 A CB 1.387 20.477 19.000 0.150 0.000 1.258 472 A HN 0.671 nan 8.150 nan 0.000 0.429 473 K N 2.705 123.192 120.400 0.146 0.000 2.394 473 K HA 0.648 4.968 4.320 -0.000 0.000 0.260 473 K C -1.381 175.283 176.600 0.107 0.000 0.967 473 K CA -0.332 56.029 56.287 0.124 0.000 0.855 473 K CB 0.701 33.281 32.500 0.132 0.000 1.101 473 K HN 0.683 nan 8.250 nan 0.000 0.433 474 I N 2.343 122.977 120.570 0.107 0.000 2.437 474 I HA 0.280 4.450 4.170 -0.000 0.000 0.298 474 I C -0.408 175.759 176.117 0.084 0.000 0.984 474 I CA -0.703 60.666 61.300 0.116 0.000 1.214 474 I CB 2.077 40.174 38.000 0.162 0.000 1.365 474 I HN 0.516 nan 8.210 nan 0.000 0.469 475 S N 4.353 120.110 115.700 0.094 0.000 2.571 475 S HA 0.570 5.040 4.470 -0.000 0.000 0.284 475 S C -0.748 173.909 174.600 0.096 0.000 1.128 475 S CA -0.607 57.644 58.200 0.085 0.000 0.970 475 S CB 2.283 65.526 63.200 0.070 0.000 1.039 475 S HN 0.279 nan 8.310 nan 0.000 0.485 476 V N 3.933 123.899 119.914 0.086 0.000 2.444 476 V HA 0.478 4.598 4.120 -0.000 0.000 0.294 476 V C -0.185 175.968 176.094 0.099 0.000 1.022 476 V CA -0.678 61.678 62.300 0.092 0.000 0.850 476 V CB 1.559 33.422 31.823 0.068 0.000 0.992 476 V HN 0.905 nan 8.190 nan 0.000 0.426 477 I N 5.706 126.329 120.570 0.088 0.000 2.428 477 I HA 0.525 4.695 4.170 -0.000 0.000 0.289 477 I C 0.004 176.168 176.117 0.078 0.000 1.019 477 I CA -0.145 61.210 61.300 0.092 0.000 1.351 477 I CB 0.459 38.505 38.000 0.075 0.000 1.412 477 I HN 0.640 nan 8.210 nan 0.000 0.513 478 R N 6.258 126.808 120.500 0.084 0.000 2.744 478 R HA 0.429 4.769 4.340 -0.000 0.000 0.279 478 R C -2.555 173.785 176.300 0.067 0.000 0.977 478 R CA -1.807 54.334 56.100 0.068 0.000 0.906 478 R CB 1.303 31.639 30.300 0.059 0.000 1.197 478 R HN 0.390 nan 8.270 nan 0.000 0.463 479 P HA 0.034 nan 4.420 nan 0.000 0.257 479 P C -0.399 176.930 177.300 0.049 0.000 1.359 479 P CA 0.669 63.802 63.100 0.055 0.000 1.239 479 P CB 0.259 31.991 31.700 0.052 0.000 1.549 480 S N 0.692 116.423 115.700 0.052 0.000 2.829 480 S HA -0.261 4.209 4.470 -0.000 0.000 0.267 480 S C 1.522 176.148 174.600 0.044 0.000 1.293 480 S CA 1.915 60.144 58.200 0.047 0.000 1.375 480 S CB -1.223 62.000 63.200 0.038 0.000 1.700 480 S HN 0.465 nan 8.310 nan 0.000 0.668 481 K N 1.974 122.400 120.400 0.043 0.000 2.288 481 K HA 0.321 4.641 4.320 -0.000 0.000 0.201 481 K C 1.161 177.777 176.600 0.027 0.000 1.048 481 K CA 1.694 58.001 56.287 0.033 0.000 0.956 481 K CB -0.346 32.174 32.500 0.033 0.000 0.746 481 K HN 0.867 nan 8.250 nan 0.000 0.461 482 G N -0.837 107.991 108.800 0.047 0.000 2.280 482 G HA2 0.006 3.966 3.960 -0.000 0.000 0.277 482 G HA3 0.006 3.966 3.960 -0.000 0.000 0.277 482 G C -1.703 173.255 174.900 0.097 0.000 1.288 482 G CA -0.367 44.758 45.100 0.043 0.000 1.075 482 G HN 0.589 nan 8.290 nan 0.000 0.480 483 H N -1.107 117.978 119.070 0.025 0.000 2.840 483 H HA 0.762 5.318 4.556 -0.000 0.000 0.340 483 H C -0.659 174.677 175.328 0.012 0.000 1.004 483 H CA -0.527 55.534 56.048 0.021 0.000 1.288 483 H CB 1.962 31.738 29.762 0.023 0.000 1.607 483 H HN 0.586 nan 8.280 nan 0.000 0.522 484 E N 2.525 122.745 120.200 0.034 0.000 2.217 484 E HA 0.186 4.536 4.350 -0.000 0.000 0.279 484 E C -0.586 176.025 176.600 0.019 0.000 1.068 484 E CA -0.223 56.160 56.400 -0.028 0.000 0.882 484 E CB 0.788 30.440 29.700 -0.081 0.000 1.039 484 E HN 0.572 nan 8.360 nan 0.000 0.418 485 S N 4.755 120.466 115.700 0.020 0.000 2.474 485 S HA 0.446 4.916 4.470 -0.000 0.000 0.320 485 S C -0.813 173.797 174.600 0.017 0.000 1.067 485 S CA -0.694 57.544 58.200 0.064 0.000 1.127 485 S CB -0.387 62.882 63.200 0.115 0.000 0.971 485 S HN 0.616 nan 8.310 nan 0.000 0.472 486 c N 4.545 123.139 118.600 -0.010 0.000 3.119 486 c HA 0.734 5.304 4.570 -0.000 0.000 0.359 486 c C -0.292 173.824 174.090 0.044 0.000 1.486 486 c CA -0.857 55.461 56.329 -0.018 0.000 1.556 486 c CB 1.622 44.046 42.510 -0.143 0.000 2.063 486 c HN 0.806 nan 8.230 nan 0.000 0.454 487 M N 0.327 119.968 119.600 0.068 0.000 2.593 487 M HA 0.615 5.095 4.480 -0.000 0.000 0.290 487 M C -0.005 176.376 176.300 0.136 0.000 1.244 487 M CA -0.038 55.327 55.300 0.109 0.000 0.857 487 M CB 2.361 35.031 32.600 0.116 0.000 1.738 487 M HN 0.931 nan 8.290 nan 0.000 0.461 488 G N 0.569 109.463 108.800 0.157 0.000 3.243 488 G HA2 0.943 4.903 3.960 -0.000 0.000 0.248 488 G HA3 0.943 4.903 3.960 -0.000 0.000 0.248 488 G C -2.035 172.982 174.900 0.196 0.000 1.267 488 G CA -0.679 44.526 45.100 0.174 0.000 0.906 488 G HN 0.871 nan 8.290 nan 0.000 0.592 489 A N -0.827 122.112 122.820 0.198 0.000 2.480 489 A HA 0.574 4.894 4.320 -0.000 0.000 0.289 489 A C -0.804 176.904 177.584 0.207 0.000 1.044 489 A CA -0.409 51.771 52.037 0.238 0.000 0.761 489 A CB 1.383 20.511 19.000 0.214 0.000 1.289 489 A HN 1.195 nan 8.150 nan 0.000 0.401 490 V N 3.575 123.626 119.914 0.229 0.000 2.458 490 V HA 0.139 4.259 4.120 -0.000 0.000 0.287 490 V C 1.456 177.659 176.094 0.183 0.000 1.009 490 V CA 1.050 63.472 62.300 0.204 0.000 1.091 490 V CB 0.728 32.679 31.823 0.215 0.000 0.960 490 V HN 1.290 nan 8.190 nan 0.000 0.476 491 V N 1.752 121.770 119.914 0.174 0.000 3.604 491 V HA 0.410 4.530 4.120 -0.000 0.000 0.277 491 V C 0.590 176.779 176.094 0.159 0.000 1.399 491 V CA 0.812 63.191 62.300 0.133 0.000 1.034 491 V CB 0.095 31.989 31.823 0.117 0.000 0.824 491 V HN 0.867 nan 8.190 nan 0.000 0.439 492 S N -0.602 115.239 115.700 0.236 0.000 2.800 492 S HA 0.420 4.890 4.470 -0.000 0.000 0.293 492 S C 0.053 174.838 174.600 0.308 0.000 1.209 492 S CA -0.115 58.260 58.200 0.291 0.000 0.884 492 S CB 1.312 64.715 63.200 0.338 0.000 1.244 492 S HN 0.144 nan 8.310 nan 0.000 0.540 493 E N -0.474 119.878 120.200 0.252 0.000 2.502 493 E HA 0.187 4.537 4.350 -0.000 0.000 0.194 493 E C -0.177 176.191 176.600 -0.386 0.000 1.062 493 E CA 0.583 56.930 56.400 -0.088 0.000 0.867 493 E CB -0.070 29.542 29.700 -0.147 0.000 0.888 493 E HN 0.596 nan 8.360 nan 0.000 0.510 494 Y N -2.115 118.195 120.300 0.015 0.000 2.713 494 Y HA 0.167 4.717 4.550 -0.000 0.000 0.265 494 Y C 0.330 176.088 175.900 -0.235 0.000 1.177 494 Y CA -0.528 57.471 58.100 -0.169 0.000 1.144 494 Y CB 0.546 38.817 38.460 -0.315 0.000 1.360 494 Y HN -0.138 nan 8.280 nan 0.000 0.491 495 F N 0.816 120.861 119.950 0.157 0.000 2.375 495 F HA 0.517 5.044 4.527 -0.000 0.000 0.333 495 F C -0.102 175.740 175.800 0.069 0.000 1.104 495 F CA -0.881 57.163 58.000 0.074 0.000 1.149 495 F CB 1.055 40.073 39.000 0.030 0.000 1.190 495 F HN -0.462 nan 8.300 nan 0.000 0.533 496 V N 4.639 124.690 119.914 0.228 0.000 2.445 496 V HA 0.188 4.308 4.120 -0.000 0.000 0.283 496 V C -0.595 175.602 176.094 0.171 0.000 1.014 496 V CA -0.781 61.623 62.300 0.175 0.000 0.852 496 V CB 1.349 33.248 31.823 0.127 0.000 1.021 496 V HN 0.537 nan 8.190 nan 0.000 0.435 497 L N 4.803 126.130 121.223 0.172 0.000 2.490 497 L HA 0.630 4.970 4.340 -0.000 0.000 0.274 497 L C 0.290 177.265 176.870 0.176 0.000 1.201 497 L CA 1.740 56.683 54.840 0.173 0.000 0.869 497 L CB 1.037 43.187 42.059 0.152 0.000 1.123 497 L HN 0.877 nan 8.230 nan 0.000 0.484 498 T N 3.012 117.680 114.554 0.189 0.000 2.693 498 T HA 0.710 5.060 4.350 -0.000 0.000 0.304 498 T C -0.783 174.033 174.700 0.193 0.000 1.471 498 T CA -0.132 62.084 62.100 0.194 0.000 0.993 498 T CB 0.484 69.492 68.868 0.232 0.000 1.554 498 T HN 1.010 nan 8.240 nan 0.000 0.496 499 A N 0.307 123.229 122.820 0.170 0.000 2.346 499 A HA 0.703 5.023 4.320 -0.000 0.000 0.255 499 A C 1.322 179.009 177.584 0.171 0.000 1.113 499 A CA 0.591 52.719 52.037 0.152 0.000 0.798 499 A CB -0.387 18.639 19.000 0.044 0.000 1.073 499 A HN 1.393 nan 8.150 nan 0.000 0.502 500 A N -1.226 121.689 122.820 0.158 0.000 2.192 500 A HA 0.146 4.465 4.320 -0.000 0.000 0.208 500 A C 1.569 179.263 177.584 0.183 0.000 1.220 500 A CA 0.783 52.890 52.037 0.117 0.000 0.900 500 A CB -0.532 18.265 19.000 -0.339 0.000 0.937 500 A HN 1.013 nan 8.150 nan 0.000 0.487 501 H N -1.422 117.800 119.070 0.253 0.000 2.547 501 H HA 0.003 4.559 4.556 -0.000 0.000 0.272 501 H C 1.360 176.792 175.328 0.172 0.000 0.989 501 H CA 1.210 57.457 56.048 0.331 0.000 1.214 501 H CB -0.714 29.345 29.762 0.495 0.000 1.389 501 H HN 0.361 nan 8.280 nan 0.000 0.577 502 c N 0.777 119.112 118.600 -0.441 0.000 2.472 502 c HA 0.170 4.740 4.570 -0.000 0.000 0.278 502 c C 0.413 174.075 174.090 -0.713 0.000 1.447 502 c CA 0.003 55.947 56.329 -0.642 0.000 1.773 502 c CB -1.599 40.369 42.510 -0.903 0.000 1.793 502 c HN 0.302 nan 8.230 nan 0.000 0.544 503 F N -1.152 118.884 119.950 0.144 0.000 2.640 503 F HA 0.596 5.123 4.527 -0.000 0.000 0.324 503 F C 0.196 176.115 175.800 0.198 0.000 1.077 503 F CA -0.615 57.520 58.000 0.225 0.000 0.965 503 F CB 1.032 40.255 39.000 0.370 0.000 1.351 503 F HN -0.315 nan 8.300 nan 0.000 0.487 504 T N -0.863 113.894 114.554 0.339 0.000 2.864 504 T HA 0.399 4.749 4.350 -0.000 0.000 0.299 504 T C 0.402 175.138 174.700 0.060 0.000 1.166 504 T CA -0.508 61.659 62.100 0.112 0.000 1.007 504 T CB 1.556 70.480 68.868 0.093 0.000 1.219 504 T HN 0.315 nan 8.240 nan 0.000 0.506 505 V N 2.111 121.998 119.914 -0.046 0.000 2.594 505 V HA -0.076 4.043 4.120 -0.000 0.000 0.253 505 V C 1.983 178.101 176.094 0.039 0.000 1.069 505 V CA 2.002 64.288 62.300 -0.024 0.000 1.082 505 V CB -0.537 31.259 31.823 -0.045 0.000 0.680 505 V HN 0.766 nan 8.190 nan 0.000 0.469 506 D N -0.466 119.961 120.400 0.046 0.000 2.149 506 D HA -0.048 4.592 4.640 -0.000 0.000 0.201 506 D C 0.680 177.017 176.300 0.062 0.000 0.972 506 D CA 0.693 54.724 54.000 0.052 0.000 0.835 506 D CB -0.351 40.477 40.800 0.046 0.000 0.966 506 D HN 0.403 nan 8.370 nan 0.000 0.476 507 D N 2.051 122.502 120.400 0.085 0.000 2.434 507 D HA 0.021 4.661 4.640 -0.000 0.000 0.252 507 D C 0.914 177.241 176.300 0.046 0.000 1.185 507 D CA 0.398 54.445 54.000 0.078 0.000 0.886 507 D CB 0.866 41.764 40.800 0.163 0.000 1.148 507 D HN -0.071 nan 8.370 nan 0.000 0.483 508 K N 2.303 122.663 120.400 -0.066 0.000 2.488 508 K HA 0.156 4.476 4.320 -0.000 0.000 0.255 508 K C 1.021 177.552 176.600 -0.115 0.000 1.036 508 K CA -0.406 55.825 56.287 -0.094 0.000 0.990 508 K CB 0.403 32.804 32.500 -0.165 0.000 1.304 508 K HN 0.175 nan 8.250 nan 0.000 0.505 509 E N 0.040 120.205 120.200 -0.058 0.000 2.318 509 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 509 E C 1.481 178.077 176.600 -0.007 0.000 0.998 509 E CA 0.810 57.199 56.400 -0.019 0.000 0.859 509 E CB -0.239 29.474 29.700 0.022 0.000 0.812 509 E HN 0.589 nan 8.360 nan 0.000 0.492 510 H N -1.405 117.690 119.070 0.040 0.000 2.547 510 H HA 0.163 4.719 4.556 -0.000 0.000 0.272 510 H C 1.333 176.690 175.328 0.049 0.000 0.989 510 H CA 1.137 57.207 56.048 0.036 0.000 1.214 510 H CB -0.014 29.766 29.762 0.030 0.000 1.389 510 H HN 0.065 nan 8.280 nan 0.000 0.577 511 S N 0.166 115.672 115.700 -0.323 0.000 2.557 511 S HA 0.263 4.733 4.470 -0.000 0.000 0.223 511 S C 0.281 174.879 174.600 -0.004 0.000 0.969 511 S CA -0.622 57.495 58.200 -0.139 0.000 0.927 511 S CB -0.174 62.895 63.200 -0.218 0.000 0.806 511 S HN 0.319 nan 8.310 nan 0.000 0.489 512 I N 2.334 122.917 120.570 0.021 0.000 2.410 512 I HA 0.481 4.651 4.170 -0.000 0.000 0.286 512 I C -0.741 175.425 176.117 0.082 0.000 1.009 512 I CA -0.664 60.697 61.300 0.101 0.000 1.111 512 I CB 1.559 39.643 38.000 0.140 0.000 1.262 512 I HN -0.089 nan 8.210 nan 0.000 0.443 513 K N 5.935 126.390 120.400 0.092 0.000 2.270 513 K HA 0.689 5.009 4.320 -0.000 0.000 0.255 513 K C -0.984 175.662 176.600 0.077 0.000 0.936 513 K CA -0.792 55.534 56.287 0.065 0.000 0.809 513 K CB 3.055 35.583 32.500 0.047 0.000 1.131 513 K HN 0.247 nan 8.250 nan 0.000 0.427 514 V N 0.988 120.935 119.914 0.055 0.000 2.487 514 V HA 0.392 4.512 4.120 -0.000 0.000 0.298 514 V C -0.295 175.816 176.094 0.028 0.000 1.028 514 V CA -0.756 61.580 62.300 0.059 0.000 0.860 514 V CB 1.891 33.751 31.823 0.062 0.000 0.991 514 V HN 0.772 nan 8.190 nan 0.000 0.427 515 S N 3.910 119.628 115.700 0.030 0.000 2.502 515 S HA 0.853 5.323 4.470 -0.000 0.000 0.304 515 S C -0.748 173.846 174.600 -0.010 0.000 1.097 515 S CA -0.469 57.725 58.200 -0.010 0.000 1.045 515 S CB 1.415 64.603 63.200 -0.022 0.000 1.019 515 S HN 1.036 nan 8.310 nan 0.000 0.481 516 V N 1.722 121.597 119.914 -0.066 0.000 3.040 516 V HA 0.948 5.068 4.120 -0.000 0.000 0.312 516 V C 0.975 176.919 176.094 -0.250 0.000 1.115 516 V CA -0.138 62.119 62.300 -0.070 0.000 0.998 516 V CB 0.700 32.523 31.823 -0.001 0.000 1.042 516 V HN 1.561 nan 8.190 nan 0.000 0.433 517 G N 0.458 109.059 108.800 -0.332 0.000 2.166 517 G HA2 0.069 4.029 3.960 -0.000 0.000 0.260 517 G HA3 0.069 4.029 3.960 -0.000 0.000 0.260 517 G C 1.586 175.932 174.900 -0.923 0.000 0.986 517 G CA 0.994 45.806 45.100 -0.480 0.000 0.683 517 G HN 2.907 nan 8.290 nan 0.000 0.527 518 G N -1.022 106.882 108.800 -1.493 0.000 2.155 518 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.257 518 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.257 518 G C 0.163 174.796 174.900 -0.446 0.000 0.983 518 G CA 0.974 45.406 45.100 -1.114 0.000 0.676 518 G HN 1.079 nan 8.290 nan 0.000 0.528 519 E N -0.175 119.816 120.200 -0.348 0.000 2.392 519 E HA 0.229 4.579 4.350 -0.000 0.000 0.264 519 E C 1.318 177.835 176.600 -0.138 0.000 1.024 519 E CA 0.219 56.502 56.400 -0.195 0.000 0.903 519 E CB 0.844 30.451 29.700 -0.157 0.000 0.963 519 E HN 0.351 nan 8.360 nan 0.000 0.432 520 K N 3.557 123.900 120.400 -0.096 0.000 2.155 520 K HA -0.109 4.211 4.320 -0.000 0.000 0.203 520 K C 0.852 177.420 176.600 -0.053 0.000 1.052 520 K CA 0.642 56.890 56.287 -0.065 0.000 0.948 520 K CB 0.179 32.650 32.500 -0.049 0.000 0.728 520 K HN 0.435 nan 8.250 nan 0.000 0.448 521 R N 0.655 121.122 120.500 -0.055 0.000 2.649 521 R HA 0.126 4.466 4.340 -0.000 0.000 0.270 521 R C -0.969 175.307 176.300 -0.039 0.000 1.105 521 R CA -0.377 55.697 56.100 -0.042 0.000 1.193 521 R CB 0.360 30.634 30.300 -0.042 0.000 1.120 521 R HN -0.138 nan 8.270 nan 0.000 0.561 522 D N 1.030 121.415 120.400 -0.025 0.000 2.375 522 D HA 0.303 4.943 4.640 -0.000 0.000 0.247 522 D C -0.436 175.854 176.300 -0.016 0.000 1.061 522 D CA -0.490 53.500 54.000 -0.015 0.000 0.834 522 D CB 1.611 42.412 40.800 0.000 0.000 1.247 522 D HN 0.364 nan 8.370 nan 0.000 0.489 523 L N 1.616 122.828 121.223 -0.018 0.000 2.349 523 L HA 0.232 4.572 4.340 -0.000 0.000 0.275 523 L C 0.864 177.727 176.870 -0.011 0.000 1.115 523 L CA -0.400 54.426 54.840 -0.024 0.000 0.820 523 L CB 0.578 42.615 42.059 -0.036 0.000 1.135 523 L HN 0.151 nan 8.230 nan 0.000 0.445 524 E N 3.974 124.167 120.200 -0.012 0.000 2.259 524 E HA 0.262 4.612 4.350 -0.000 0.000 0.281 524 E C -0.210 176.381 176.600 -0.015 0.000 1.037 524 E CA -0.354 56.044 56.400 -0.003 0.000 0.854 524 E CB 1.332 31.034 29.700 0.002 0.000 1.051 524 E HN 0.438 nan 8.360 nan 0.000 0.409 525 I N -0.661 119.900 120.570 -0.016 0.000 2.970 525 I HA 0.225 4.395 4.170 -0.000 0.000 0.310 525 I C 0.873 176.966 176.117 -0.040 0.000 1.010 525 I CA -0.373 60.903 61.300 -0.041 0.000 1.228 525 I CB 1.235 39.199 38.000 -0.059 0.000 1.433 525 I HN 0.601 nan 8.210 nan 0.000 0.573 526 E N 1.842 122.002 120.200 -0.066 0.000 2.207 526 E HA 0.239 4.589 4.350 -0.000 0.000 0.197 526 E C -0.437 176.130 176.600 -0.055 0.000 0.914 526 E CA 0.214 56.579 56.400 -0.057 0.000 0.914 526 E CB 1.325 30.976 29.700 -0.080 0.000 0.893 526 E HN 0.521 nan 8.360 nan 0.000 0.479 527 V N 1.175 121.039 119.914 -0.083 0.000 2.950 527 V HA 0.292 4.412 4.120 -0.000 0.000 0.295 527 V C -1.678 174.347 176.094 -0.116 0.000 1.297 527 V CA -0.813 61.447 62.300 -0.067 0.000 0.962 527 V CB 2.053 33.860 31.823 -0.026 0.000 1.081 527 V HN -0.014 nan 8.190 nan 0.000 0.432 528 V N 7.643 127.457 119.914 -0.167 0.000 2.348 528 V HA 0.440 4.560 4.120 -0.000 0.000 0.270 528 V C 0.138 176.041 176.094 -0.318 0.000 1.037 528 V CA -0.367 61.715 62.300 -0.363 0.000 0.872 528 V CB 1.202 32.621 31.823 -0.672 0.000 1.002 528 V HN 0.684 nan 8.190 nan 0.000 0.464 529 L N 6.257 127.373 121.223 -0.178 0.000 2.261 529 L HA 0.478 4.818 4.340 -0.000 0.000 0.289 529 L C -0.334 176.567 176.870 0.052 0.000 1.059 529 L CA 0.007 54.879 54.840 0.054 0.000 0.816 529 L CB 0.277 42.461 42.059 0.210 0.000 1.191 529 L HN 0.439 nan 8.230 nan 0.000 0.431 530 F N 1.397 121.442 119.950 0.159 0.000 2.370 530 F HA 0.266 4.793 4.527 -0.000 0.000 0.324 530 F C 1.063 176.807 175.800 -0.094 0.000 1.116 530 F CA -0.432 57.579 58.000 0.018 0.000 1.123 530 F CB 0.433 39.414 39.000 -0.031 0.000 1.238 530 F HN 0.398 nan 8.300 nan 0.000 0.536 531 H N 3.351 122.233 119.070 -0.312 0.000 2.803 531 H HA 0.086 4.642 4.556 -0.000 0.000 0.330 531 H C -1.791 173.391 175.328 -0.244 0.000 1.057 531 H CA -1.396 54.215 56.048 -0.729 0.000 1.458 531 H CB 1.524 30.857 29.762 -0.715 0.000 1.470 531 H HN 0.264 nan 8.280 nan 0.000 0.560 532 P HA -0.104 nan 4.420 nan 0.000 0.221 532 P C 0.217 177.452 177.300 -0.108 0.000 1.145 532 P CA 1.105 64.058 63.100 -0.244 0.000 0.795 532 P CB 0.383 31.902 31.700 -0.302 0.000 0.775 533 N N -2.653 116.050 118.700 0.005 0.000 2.214 533 N HA 0.035 4.775 4.740 -0.000 0.000 0.214 533 N C -0.362 175.260 175.510 0.186 0.000 1.132 533 N CA -0.299 52.769 53.050 0.030 0.000 0.856 533 N CB -0.461 37.823 38.487 -0.339 0.000 1.020 533 N HN 0.209 nan 8.380 nan 0.000 0.509 534 Y N 1.702 122.080 120.300 0.130 0.000 2.436 534 Y HA 0.372 4.922 4.550 -0.000 0.000 0.343 534 Y C -0.323 175.636 175.900 0.099 0.000 1.008 534 Y CA -0.390 57.791 58.100 0.136 0.000 1.241 534 Y CB 0.303 38.848 38.460 0.142 0.000 1.153 534 Y HN -0.097 nan 8.280 nan 0.000 0.521 535 N N 7.190 125.652 118.700 -0.396 0.000 2.732 535 N HA 0.071 4.811 4.740 -0.000 0.000 0.247 535 N C 0.018 175.332 175.510 -0.327 0.000 1.305 535 N CA -0.295 52.569 53.050 -0.311 0.000 0.762 535 N CB 0.276 38.717 38.487 -0.077 0.000 1.361 535 N HN 0.933 nan 8.380 nan 0.000 0.545 536 I N 1.304 121.528 120.570 -0.577 0.000 2.614 536 I HA -0.036 4.134 4.170 -0.000 0.000 0.258 536 I C -0.114 175.878 176.117 -0.208 0.000 1.189 536 I CA 0.961 62.029 61.300 -0.386 0.000 1.462 536 I CB 0.323 38.111 38.000 -0.354 0.000 1.092 536 I HN 0.265 nan 8.210 nan 0.000 0.442 537 N N 1.052 119.645 118.700 -0.177 0.000 2.380 537 N HA 0.207 4.947 4.740 -0.000 0.000 0.255 537 N C 0.583 176.002 175.510 -0.153 0.000 1.158 537 N CA 0.210 53.172 53.050 -0.147 0.000 0.878 537 N CB 0.853 39.272 38.487 -0.113 0.000 1.138 537 N HN 0.289 nan 8.380 nan 0.000 0.509 538 G N -0.267 108.424 108.800 -0.182 0.000 3.707 538 G HA2 0.077 4.037 3.960 -0.000 0.000 0.286 538 G HA3 0.077 4.037 3.960 -0.000 0.000 0.286 538 G C 0.898 175.586 174.900 -0.352 0.000 1.112 538 G CA -0.161 44.806 45.100 -0.221 0.000 0.861 538 G HN -0.055 nan 8.290 nan 0.000 0.534 539 K N -0.041 120.161 120.400 -0.330 0.000 2.582 539 K HA 0.157 4.477 4.320 -0.000 0.000 0.204 539 K C 1.455 177.909 176.600 -0.244 0.000 1.221 539 K CA -0.218 55.852 56.287 -0.361 0.000 1.048 539 K CB 0.548 32.748 32.500 -0.501 0.000 1.011 539 K HN 0.188 nan 8.250 nan 0.000 0.597 540 K N 1.163 121.445 120.400 -0.197 0.000 2.209 540 K HA -0.140 4.180 4.320 -0.000 0.000 0.204 540 K C 1.694 178.211 176.600 -0.138 0.000 1.048 540 K CA 1.123 57.315 56.287 -0.160 0.000 0.940 540 K CB 0.254 32.675 32.500 -0.132 0.000 0.729 540 K HN 0.233 nan 8.250 nan 0.000 0.451 541 E N 0.997 121.115 120.200 -0.137 0.000 2.077 541 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 541 E C 1.511 178.044 176.600 -0.112 0.000 0.989 541 E CA 1.014 57.346 56.400 -0.113 0.000 0.800 541 E CB 0.022 29.657 29.700 -0.108 0.000 0.746 541 E HN 0.302 nan 8.360 nan 0.000 0.452 542 A N -0.141 122.598 122.820 -0.134 0.000 2.238 542 A HA 0.274 4.594 4.320 -0.000 0.000 0.208 542 A C 1.457 178.966 177.584 -0.124 0.000 1.177 542 A CA 0.803 52.767 52.037 -0.122 0.000 0.804 542 A CB -0.264 18.655 19.000 -0.134 0.000 0.823 542 A HN 0.452 nan 8.150 nan 0.000 0.482 543 G N -0.605 108.114 108.800 -0.136 0.000 2.149 543 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.235 543 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.235 543 G C -0.056 174.729 174.900 -0.190 0.000 1.018 543 G CA 0.221 45.237 45.100 -0.141 0.000 0.728 543 G HN 0.548 nan 8.290 nan 0.000 0.508 544 I N 0.330 120.767 120.570 -0.221 0.000 2.388 544 I HA 0.228 4.398 4.170 -0.000 0.000 0.281 544 I C -1.167 174.769 176.117 -0.303 0.000 1.046 544 I CA -2.476 58.641 61.300 -0.307 0.000 1.187 544 I CB 1.727 39.569 38.000 -0.264 0.000 1.351 544 I HN -0.144 nan 8.210 nan 0.000 0.472 545 P HA -0.115 nan 4.420 nan 0.000 0.215 545 P C 0.016 177.156 177.300 -0.266 0.000 1.157 545 P CA 1.445 64.392 63.100 -0.255 0.000 0.868 545 P CB 0.244 31.803 31.700 -0.234 0.000 0.788 546 E N -0.971 119.021 120.200 -0.347 0.000 2.191 546 E HA 0.430 4.780 4.350 -0.000 0.000 0.274 546 E C -0.991 175.473 176.600 -0.227 0.000 0.948 546 E CA -0.662 55.528 56.400 -0.351 0.000 0.802 546 E CB 1.419 30.965 29.700 -0.257 0.000 1.137 546 E HN -0.037 nan 8.360 nan 0.000 0.397 547 F N 2.314 121.930 119.950 -0.557 0.000 3.228 547 F HA 0.211 4.738 4.527 -0.000 0.000 0.390 547 F C -1.093 174.513 175.800 -0.323 0.000 1.235 547 F CA -0.557 57.241 58.000 -0.337 0.000 1.236 547 F CB 0.292 39.150 39.000 -0.237 0.000 1.855 547 F HN 0.340 nan 8.300 nan 0.000 0.647 548 Y N 1.525 121.641 120.300 -0.308 0.000 2.627 548 Y HA 0.153 4.703 4.550 -0.000 0.000 0.339 548 Y C 0.748 176.676 175.900 0.046 0.000 1.137 548 Y CA -0.465 57.625 58.100 -0.017 0.000 1.361 548 Y CB -0.544 38.016 38.460 0.167 0.000 1.180 548 Y HN 0.368 nan 8.280 nan 0.000 0.512 549 D N -0.264 119.922 120.400 -0.358 0.000 2.390 549 D HA -0.055 4.585 4.640 -0.000 0.000 0.249 549 D C -0.281 175.968 176.300 -0.084 0.000 1.144 549 D CA 0.188 53.969 54.000 -0.365 0.000 0.880 549 D CB 0.228 40.633 40.800 -0.658 0.000 1.182 549 D HN 0.272 nan 8.370 nan 0.000 0.451 550 Y N 1.058 121.195 120.300 -0.271 0.000 3.078 550 Y HA -0.244 4.306 4.550 -0.000 0.000 0.202 550 Y C 0.318 176.178 175.900 -0.068 0.000 1.322 550 Y CA 0.531 58.427 58.100 -0.341 0.000 1.118 550 Y CB -1.453 36.682 38.460 -0.542 0.000 1.343 550 Y HN 0.422 nan 8.280 nan 0.000 0.499 551 D N 1.453 121.924 120.400 0.119 0.000 2.713 551 D HA 0.393 5.033 4.640 -0.000 0.000 0.229 551 D C -0.252 176.142 176.300 0.157 0.000 1.136 551 D CA 0.207 54.396 54.000 0.316 0.000 1.010 551 D CB -0.374 40.709 40.800 0.472 0.000 1.084 551 D HN 0.212 nan 8.370 nan 0.000 0.495 552 V N -1.190 118.744 119.914 0.034 0.000 3.040 552 V HA 1.027 5.147 4.120 -0.000 0.000 0.312 552 V C -0.718 175.359 176.094 -0.028 0.000 1.115 552 V CA -1.097 61.225 62.300 0.036 0.000 0.998 552 V CB 1.565 33.423 31.823 0.058 0.000 1.042 552 V HN 0.275 nan 8.190 nan 0.000 0.433 553 A N 3.029 125.942 122.820 0.154 0.000 2.577 553 A HA 0.799 5.118 4.320 -0.000 0.000 0.297 553 A C -1.464 176.272 177.584 0.252 0.000 1.060 553 A CA -0.618 51.517 52.037 0.163 0.000 0.697 553 A CB 1.380 20.248 19.000 -0.221 0.000 1.281 553 A HN 1.059 nan 8.150 nan 0.000 0.402 554 L N 1.596 122.987 121.223 0.282 0.000 2.344 554 L HA 0.652 4.992 4.340 -0.000 0.000 0.272 554 L C -0.602 176.300 176.870 0.052 0.000 1.035 554 L CA -0.671 54.276 54.840 0.179 0.000 0.807 554 L CB 1.748 43.897 42.059 0.150 0.000 1.237 554 L HN 0.623 nan 8.230 nan 0.000 0.442 555 I N 2.376 122.989 120.570 0.072 0.000 2.495 555 I HA 0.220 4.390 4.170 -0.000 0.000 0.277 555 I C -0.219 175.831 176.117 -0.111 0.000 1.045 555 I CA -0.491 60.767 61.300 -0.069 0.000 1.135 555 I CB 1.433 39.374 38.000 -0.098 0.000 1.241 555 I HN 0.513 nan 8.210 nan 0.000 0.469 556 K N 7.319 127.562 120.400 -0.262 0.000 2.338 556 K HA 0.400 4.719 4.320 -0.000 0.000 0.290 556 K C -0.367 176.074 176.600 -0.266 0.000 1.069 556 K CA -0.379 55.560 56.287 -0.579 0.000 0.941 556 K CB 0.607 32.624 32.500 -0.805 0.000 1.023 556 K HN 0.561 nan 8.250 nan 0.000 0.477 557 L N 3.881 125.006 121.223 -0.163 0.000 2.472 557 L HA 0.089 4.429 4.340 -0.000 0.000 0.260 557 L C 1.647 178.520 176.870 0.004 0.000 1.209 557 L CA 0.024 54.824 54.840 -0.067 0.000 0.817 557 L CB 0.478 42.491 42.059 -0.077 0.000 1.106 557 L HN 0.720 nan 8.230 nan 0.000 0.479 558 K N 0.344 120.741 120.400 -0.005 0.000 2.262 558 K HA 0.044 4.364 4.320 -0.000 0.000 0.200 558 K C 0.028 176.662 176.600 0.058 0.000 1.049 558 K CA 0.464 56.762 56.287 0.019 0.000 0.979 558 K CB 0.329 32.827 32.500 -0.004 0.000 0.773 558 K HN 0.542 nan 8.250 nan 0.000 0.474 559 N N 1.038 119.738 118.700 0.001 0.000 2.335 559 N HA 0.111 4.851 4.740 -0.000 0.000 0.304 559 N C -1.441 173.917 175.510 -0.254 0.000 1.135 559 N CA -0.543 52.475 53.050 -0.053 0.000 0.817 559 N CB 1.762 40.203 38.487 -0.077 0.000 1.294 559 N HN -0.018 nan 8.380 nan 0.000 0.497 560 K N 1.274 121.473 120.400 -0.336 0.000 2.298 560 K HA 0.280 4.600 4.320 -0.000 0.000 0.280 560 K C -0.629 175.689 176.600 -0.470 0.000 1.032 560 K CA -0.308 55.572 56.287 -0.678 0.000 0.958 560 K CB 0.435 32.682 32.500 -0.422 0.000 0.978 560 K HN 0.446 nan 8.250 nan 0.000 0.472 561 L N 4.599 125.492 121.223 -0.549 0.000 2.281 561 L HA 0.220 4.559 4.340 -0.000 0.000 0.285 561 L C -0.195 176.348 176.870 -0.544 0.000 1.074 561 L CA -0.672 53.904 54.840 -0.439 0.000 0.817 561 L CB 0.929 42.766 42.059 -0.370 0.000 1.168 561 L HN 0.470 nan 8.230 nan 0.000 0.434 562 K N 3.699 123.887 120.400 -0.353 0.000 2.273 562 K HA 0.263 4.583 4.320 -0.000 0.000 0.287 562 K C -0.886 175.591 176.600 -0.205 0.000 1.089 562 K CA -0.226 55.887 56.287 -0.290 0.000 0.909 562 K CB 0.036 32.444 32.500 -0.155 0.000 1.123 562 K HN 0.124 nan 8.250 nan 0.000 0.473 563 Y N 0.957 121.230 120.300 -0.046 0.000 2.610 563 Y HA 0.294 4.844 4.550 -0.000 0.000 0.332 563 Y C 1.449 177.330 175.900 -0.032 0.000 1.201 563 Y CA 0.374 58.454 58.100 -0.033 0.000 1.465 563 Y CB 0.315 38.767 38.460 -0.015 0.000 1.283 563 Y HN 0.696 nan 8.280 nan 0.000 0.563 564 G N 1.195 110.074 108.800 0.132 0.000 3.166 564 G HA2 0.248 4.208 3.960 -0.000 0.000 0.267 564 G HA3 0.248 4.208 3.960 -0.000 0.000 0.267 564 G C -0.293 174.624 174.900 0.028 0.000 1.256 564 G CA -0.761 44.371 45.100 0.053 0.000 0.859 564 G HN 0.504 nan 8.290 nan 0.000 0.590 565 Q N -0.513 119.290 119.800 0.004 0.000 2.444 565 Q HA 0.075 4.415 4.340 -0.000 0.000 0.206 565 Q C 1.719 177.623 176.000 -0.160 0.000 0.948 565 Q CA 1.246 57.053 55.803 0.006 0.000 0.946 565 Q CB 0.300 29.105 28.738 0.113 0.000 1.027 565 Q HN 0.599 nan 8.270 nan 0.000 0.513 566 T N -3.707 110.727 114.554 -0.200 0.000 2.969 566 T HA 0.318 4.668 4.350 -0.000 0.000 0.258 566 T C 0.507 175.126 174.700 -0.135 0.000 0.962 566 T CA -0.229 61.687 62.100 -0.306 0.000 0.903 566 T CB 0.424 69.077 68.868 -0.358 0.000 1.177 566 T HN -0.030 nan 8.240 nan 0.000 0.511 567 I N 1.437 121.981 120.570 -0.044 0.000 2.447 567 I HA 0.664 4.834 4.170 -0.000 0.000 0.287 567 I C -0.605 175.596 176.117 0.140 0.000 1.023 567 I CA -1.024 60.309 61.300 0.054 0.000 1.083 567 I CB 2.067 40.110 38.000 0.072 0.000 1.245 567 I HN 0.099 nan 8.210 nan 0.000 0.434 568 R N 6.944 127.509 120.500 0.108 0.000 2.579 568 R HA 0.439 4.779 4.340 -0.000 0.000 0.260 568 R C -3.019 173.298 176.300 0.030 0.000 1.103 568 R CA -1.161 54.921 56.100 -0.030 0.000 0.942 568 R CB 2.632 32.913 30.300 -0.030 0.000 1.251 568 R HN 0.179 nan 8.270 nan 0.000 0.450 569 P HA 0.154 nan 4.420 nan 0.000 0.272 569 P C -0.851 176.469 177.300 0.034 0.000 1.254 569 P CA -0.276 62.816 63.100 -0.014 0.000 0.795 569 P CB 0.553 32.175 31.700 -0.130 0.000 1.022 570 I N -0.464 120.102 120.570 -0.006 0.000 2.647 570 I HA 0.290 4.460 4.170 -0.000 0.000 0.295 570 I C -0.822 175.215 176.117 -0.134 0.000 1.078 570 I CA -1.144 60.077 61.300 -0.131 0.000 1.048 570 I CB 1.319 39.130 38.000 -0.315 0.000 1.239 570 I HN 0.291 nan 8.210 nan 0.000 0.421 571 c N 7.095 125.602 118.600 -0.155 0.000 2.596 571 c HA 0.231 4.801 4.570 -0.000 0.000 0.414 571 c C 0.329 174.332 174.090 -0.145 0.000 1.396 571 c CA -0.236 56.006 56.329 -0.145 0.000 1.698 571 c CB -1.162 41.267 42.510 -0.135 0.000 2.572 571 c HN 0.448 nan 8.230 nan 0.000 0.604 572 L N 5.570 126.701 121.223 -0.153 0.000 2.331 572 L HA 0.419 4.759 4.340 -0.000 0.000 0.275 572 L C -2.129 174.633 176.870 -0.180 0.000 1.022 572 L CA -1.843 52.916 54.840 -0.136 0.000 0.812 572 L CB 1.196 43.221 42.059 -0.057 0.000 1.257 572 L HN 0.317 nan 8.230 nan 0.000 0.435 573 P HA -0.040 nan 4.420 nan 0.000 0.266 573 P C -0.355 176.833 177.300 -0.187 0.000 1.193 573 P CA -0.157 62.722 63.100 -0.369 0.000 0.770 573 P CB 0.258 31.301 31.700 -1.096 0.000 0.836 574 c N 0.923 119.479 118.600 -0.072 0.000 4.067 574 c HA -0.068 4.502 4.570 -0.000 0.000 0.305 574 c C 0.588 174.642 174.090 -0.060 0.000 1.305 574 c CA 1.066 57.407 56.329 0.021 0.000 2.111 574 c CB -3.119 39.455 42.510 0.106 0.000 1.339 574 c HN 0.839 nan 8.230 nan 0.000 0.668 575 T N -3.848 110.610 114.554 -0.160 0.000 2.909 575 T HA 0.545 4.895 4.350 -0.000 0.000 0.299 575 T C 0.642 175.241 174.700 -0.169 0.000 1.073 575 T CA -0.578 61.349 62.100 -0.288 0.000 0.999 575 T CB 1.533 70.109 68.868 -0.487 0.000 1.098 575 T HN 0.381 nan 8.240 nan 0.000 0.477 576 E N 1.261 121.370 120.200 -0.152 0.000 2.265 576 E HA -0.048 4.302 4.350 -0.000 0.000 0.196 576 E C 2.079 178.622 176.600 -0.095 0.000 0.996 576 E CA 1.097 57.442 56.400 -0.092 0.000 0.832 576 E CB -0.337 29.322 29.700 -0.069 0.000 0.756 576 E HN 0.877 nan 8.360 nan 0.000 0.491 577 G N 0.535 109.257 108.800 -0.130 0.000 2.408 577 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.215 577 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.215 577 G C 1.612 176.447 174.900 -0.108 0.000 1.156 577 G CA 0.846 45.877 45.100 -0.115 0.000 0.793 577 G HN 0.156 nan 8.290 nan 0.000 0.535 578 T N 1.028 115.510 114.554 -0.121 0.000 2.904 578 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 578 T C 2.655 177.312 174.700 -0.071 0.000 1.059 578 T CA 1.577 63.618 62.100 -0.099 0.000 1.137 578 T CB -0.348 68.459 68.868 -0.101 0.000 0.879 578 T HN 0.253 nan 8.240 nan 0.000 0.467 579 T N 2.125 116.642 114.554 -0.062 0.000 2.720 579 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 579 T C 2.110 176.782 174.700 -0.046 0.000 1.037 579 T CA 1.098 63.173 62.100 -0.042 0.000 1.144 579 T CB -0.157 68.692 68.868 -0.033 0.000 0.864 579 T HN 0.401 nan 8.240 nan 0.000 0.444 580 R N 0.854 121.321 120.500 -0.055 0.000 2.115 580 R HA 0.176 4.516 4.340 -0.000 0.000 0.226 580 R C 2.837 179.097 176.300 -0.066 0.000 1.100 580 R CA 0.979 57.046 56.100 -0.056 0.000 0.980 580 R CB -0.380 29.885 30.300 -0.059 0.000 0.875 580 R HN 0.349 nan 8.270 nan 0.000 0.445 581 A N 1.290 124.064 122.820 -0.076 0.000 1.933 581 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 581 A C 1.979 179.508 177.584 -0.091 0.000 1.175 581 A CA 1.124 53.107 52.037 -0.090 0.000 0.628 581 A CB -0.372 18.568 19.000 -0.100 0.000 0.814 581 A HN 0.188 nan 8.150 nan 0.000 0.444 582 L N -1.792 119.387 121.223 -0.074 0.000 2.591 582 L HA 0.087 4.427 4.340 -0.000 0.000 0.228 582 L C 0.622 177.458 176.870 -0.056 0.000 1.133 582 L CA 0.157 54.957 54.840 -0.066 0.000 0.880 582 L CB -0.199 41.831 42.059 -0.048 0.000 1.033 582 L HN 0.412 nan 8.230 nan 0.000 0.450 583 R N -0.602 119.866 120.500 -0.054 0.000 3.770 583 R HA -0.164 4.176 4.340 -0.000 0.000 0.305 583 R C -0.285 175.994 176.300 -0.036 0.000 1.184 583 R CA 0.408 56.480 56.100 -0.046 0.000 0.823 583 R CB -2.485 27.787 30.300 -0.047 0.000 1.285 583 R HN 0.309 nan 8.270 nan 0.000 0.499 584 L N 0.864 122.068 121.223 -0.032 0.000 2.379 584 L HA 0.439 4.779 4.340 -0.000 0.000 0.269 584 L C -1.663 175.196 176.870 -0.017 0.000 1.084 584 L CA -2.333 52.493 54.840 -0.024 0.000 0.802 584 L CB 0.470 42.517 42.059 -0.020 0.000 1.175 584 L HN -0.270 nan 8.230 nan 0.000 0.448 585 P HA 0.034 nan 4.420 nan 0.000 0.266 585 P C -2.126 175.173 177.300 -0.002 0.000 1.193 585 P CA -0.851 62.247 63.100 -0.003 0.000 0.770 585 P CB 0.000 31.701 31.700 0.000 0.000 0.836 586 P HA -0.127 nan 4.420 nan 0.000 0.221 586 P C 0.883 178.186 177.300 0.006 0.000 1.145 586 P CA 1.529 64.630 63.100 0.002 0.000 0.795 586 P CB -0.482 31.221 31.700 0.005 0.000 0.775 587 T N -5.008 109.552 114.554 0.009 0.000 3.380 587 T HA 0.088 4.438 4.350 -0.000 0.000 0.250 587 T C 0.474 175.182 174.700 0.013 0.000 1.082 587 T CA -0.128 61.979 62.100 0.012 0.000 0.968 587 T CB -1.329 67.547 68.868 0.014 0.000 1.027 587 T HN -0.093 nan 8.240 nan 0.000 0.575 588 T N 3.994 118.555 114.554 0.011 0.000 2.761 588 T HA 0.384 4.734 4.350 -0.000 0.000 0.296 588 T C 0.796 175.511 174.700 0.025 0.000 0.934 588 T CA -0.404 61.705 62.100 0.014 0.000 1.091 588 T CB 0.927 69.800 68.868 0.009 0.000 0.896 588 T HN 0.653 nan 8.240 nan 0.000 0.515 589 T N -0.104 114.468 114.554 0.031 0.000 2.849 589 T HA 0.106 4.456 4.350 -0.000 0.000 0.284 589 T C 1.841 176.580 174.700 0.064 0.000 1.004 589 T CA -0.880 61.247 62.100 0.044 0.000 1.021 589 T CB 0.683 69.576 68.868 0.041 0.000 1.013 589 T HN 0.710 nan 8.240 nan 0.000 0.527 590 c N 0.980 119.632 118.600 0.086 0.000 2.413 590 c HA -0.084 4.486 4.570 -0.000 0.000 0.277 590 c C 2.780 176.956 174.090 0.143 0.000 1.265 590 c CA 1.610 58.020 56.329 0.135 0.000 1.752 590 c CB -1.616 40.983 42.510 0.149 0.000 1.998 590 c HN 1.072 nan 8.230 nan 0.000 0.489 591 Q N 0.542 120.395 119.800 0.088 0.000 2.170 591 Q HA -0.173 4.167 4.340 -0.000 0.000 0.203 591 Q C 2.223 178.230 176.000 0.011 0.000 0.976 591 Q CA 1.926 57.757 55.803 0.046 0.000 0.858 591 Q CB -0.443 28.316 28.738 0.035 0.000 0.907 591 Q HN 0.787 nan 8.270 nan 0.000 0.433 592 Q N -0.602 119.213 119.800 0.024 0.000 2.119 592 Q HA -0.171 4.169 4.340 -0.000 0.000 0.201 592 Q C 2.168 178.170 176.000 0.002 0.000 0.972 592 Q CA 1.445 57.251 55.803 0.005 0.000 0.847 592 Q CB -0.038 28.706 28.738 0.010 0.000 0.903 592 Q HN 0.550 nan 8.270 nan 0.000 0.433 593 Q N 0.687 120.517 119.800 0.050 0.000 2.119 593 Q HA -0.152 4.188 4.340 -0.000 0.000 0.201 593 Q C 1.955 177.965 176.000 0.017 0.000 0.972 593 Q CA 0.965 56.821 55.803 0.088 0.000 0.847 593 Q CB -0.092 28.763 28.738 0.194 0.000 0.903 593 Q HN 0.204 nan 8.270 nan 0.000 0.433 594 K N 1.168 121.485 120.400 -0.138 0.000 2.211 594 K HA -0.167 4.152 4.320 -0.000 0.000 0.203 594 K C 1.463 177.845 176.600 -0.363 0.000 1.050 594 K CA 1.142 57.031 56.287 -0.664 0.000 0.945 594 K CB 0.195 32.236 32.500 -0.763 0.000 0.732 594 K HN 0.207 nan 8.250 nan 0.000 0.451 595 E N -0.199 119.892 120.200 -0.181 0.000 2.285 595 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 595 E C 1.628 178.173 176.600 -0.092 0.000 0.997 595 E CA 0.744 57.072 56.400 -0.120 0.000 0.845 595 E CB 0.224 29.879 29.700 -0.074 0.000 0.782 595 E HN 0.283 nan 8.360 nan 0.000 0.491 596 E N 0.978 121.132 120.200 -0.077 0.000 2.075 596 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 596 E C 1.825 178.394 176.600 -0.051 0.000 0.969 596 E CA 0.668 57.037 56.400 -0.052 0.000 0.815 596 E CB 0.008 29.690 29.700 -0.030 0.000 0.776 596 E HN 0.141 nan 8.360 nan 0.000 0.457 597 L N -0.278 120.919 121.223 -0.044 0.000 2.162 597 L HA 0.136 4.476 4.340 -0.000 0.000 0.205 597 L C 0.682 177.521 176.870 -0.052 0.000 1.086 597 L CA 0.533 55.365 54.840 -0.014 0.000 0.778 597 L CB 0.095 42.220 42.059 0.110 0.000 0.928 597 L HN 0.080 nan 8.230 nan 0.000 0.446 598 L N 0.618 121.762 121.223 -0.132 0.000 2.556 598 L HA 0.365 4.705 4.340 -0.000 0.000 0.243 598 L C -2.393 174.405 176.870 -0.120 0.000 1.331 598 L CA -1.662 53.100 54.840 -0.129 0.000 0.927 598 L CB 0.557 42.501 42.059 -0.192 0.000 1.219 598 L HN -0.113 nan 8.230 nan 0.000 0.490 599 P HA 0.079 nan 4.420 nan 0.000 0.274 599 P C 0.116 177.389 177.300 -0.045 0.000 1.260 599 P CA -0.378 62.685 63.100 -0.061 0.000 0.793 599 P CB 0.809 32.482 31.700 -0.044 0.000 1.048 600 A N 0.543 123.342 122.820 -0.035 0.000 3.135 600 A HA 0.220 4.540 4.320 -0.000 0.000 0.253 600 A C 0.430 178.002 177.584 -0.019 0.000 1.638 600 A CA 0.146 52.168 52.037 -0.024 0.000 1.295 600 A CB -1.317 17.670 19.000 -0.021 0.000 1.106 600 A HN 0.544 nan 8.150 nan 0.000 0.648 601 Q N -1.260 118.533 119.800 -0.012 0.000 2.943 601 Q HA 0.393 4.733 4.340 -0.000 0.000 0.341 601 Q C -1.704 174.306 176.000 0.015 0.000 0.858 601 Q CA -1.054 54.747 55.803 -0.003 0.000 0.804 601 Q CB 0.495 29.232 28.738 -0.002 0.000 1.399 601 Q HN 0.068 nan 8.270 nan 0.000 0.511 602 D N 1.552 121.972 120.400 0.032 0.000 2.517 602 D HA 0.332 4.972 4.640 -0.000 0.000 0.220 602 D C -0.223 176.169 176.300 0.154 0.000 1.158 602 D CA 0.024 54.073 54.000 0.082 0.000 0.992 602 D CB -0.197 40.628 40.800 0.042 0.000 1.058 602 D HN 0.328 nan 8.370 nan 0.000 0.516 603 I N 0.869 121.498 120.570 0.098 0.000 2.752 603 I HA -0.060 4.110 4.170 -0.000 0.000 0.287 603 I C 1.151 177.287 176.117 0.032 0.000 1.188 603 I CA 0.262 61.588 61.300 0.045 0.000 1.427 603 I CB 0.538 38.538 38.000 0.000 0.000 1.365 603 I HN -0.041 nan 8.210 nan 0.000 0.585 604 K N 5.779 126.112 120.400 -0.112 0.000 2.292 604 K HA 0.645 4.965 4.320 -0.000 0.000 0.270 604 K C -0.726 175.710 176.600 -0.273 0.000 1.062 604 K CA -0.290 55.766 56.287 -0.384 0.000 0.916 604 K CB 0.858 33.106 32.500 -0.420 0.000 1.166 604 K HN 0.797 nan 8.250 nan 0.000 0.458 605 A N 3.377 126.043 122.820 -0.257 0.000 2.578 605 A HA 0.861 5.181 4.320 -0.000 0.000 0.255 605 A C -1.436 176.083 177.584 -0.108 0.000 1.251 605 A CA -0.754 51.203 52.037 -0.133 0.000 0.882 605 A CB 0.656 19.605 19.000 -0.085 0.000 1.416 605 A HN 0.601 nan 8.150 nan 0.000 0.462 606 L N -3.418 117.799 121.223 -0.010 0.000 2.869 606 L HA 0.879 5.219 4.340 -0.000 0.000 0.265 606 L C -0.833 176.126 176.870 0.147 0.000 1.011 606 L CA -0.764 54.090 54.840 0.024 0.000 0.913 606 L CB 0.839 42.874 42.059 -0.040 0.000 1.490 606 L HN 1.096 nan 8.230 nan 0.000 0.410 607 F N -1.346 118.607 119.950 0.005 0.000 2.629 607 F HA 0.961 5.488 4.527 -0.000 0.000 0.316 607 F C -1.091 174.741 175.800 0.053 0.000 1.081 607 F CA -1.503 56.518 58.000 0.035 0.000 0.954 607 F CB 1.504 40.519 39.000 0.025 0.000 1.337 607 F HN 0.315 nan 8.300 nan 0.000 0.474 608 V N 2.012 122.041 119.914 0.192 0.000 2.407 608 V HA 0.551 4.671 4.120 -0.000 0.000 0.278 608 V C -0.132 176.030 176.094 0.113 0.000 1.037 608 V CA -0.242 62.084 62.300 0.043 0.000 0.900 608 V CB 0.764 32.620 31.823 0.056 0.000 0.983 608 V HN 0.919 nan 8.190 nan 0.000 0.459 609 S N 3.489 119.173 115.700 -0.026 0.000 2.568 609 S HA 0.542 5.011 4.470 -0.000 0.000 0.302 609 S C -0.683 173.917 174.600 -0.001 0.000 1.082 609 S CA -0.685 57.551 58.200 0.060 0.000 1.009 609 S CB 1.709 64.939 63.200 0.052 0.000 1.069 609 S HN 0.866 nan 8.310 nan 0.000 0.500 610 E N 1.950 122.168 120.200 0.030 0.000 2.114 610 E HA 0.349 4.699 4.350 -0.000 0.000 0.266 610 E C -1.333 175.276 176.600 0.015 0.000 0.896 610 E CA -0.393 56.011 56.400 0.006 0.000 0.750 610 E CB 0.899 30.613 29.700 0.023 0.000 1.121 610 E HN 0.489 nan 8.360 nan 0.000 0.413 611 E N 4.089 124.288 120.200 -0.003 0.000 2.185 611 E HA 0.134 4.484 4.350 -0.000 0.000 0.261 611 E C -1.139 175.463 176.600 0.002 0.000 0.879 611 E CA -0.343 56.059 56.400 0.003 0.000 0.756 611 E CB 0.723 30.420 29.700 -0.006 0.000 1.152 611 E HN 0.561 nan 8.360 nan 0.000 0.416 612 E N 4.066 124.273 120.200 0.012 0.000 2.271 612 E HA -0.291 4.059 4.350 -0.000 0.000 0.223 612 E C -0.631 175.976 176.600 0.012 0.000 1.223 612 E CA 0.814 57.221 56.400 0.012 0.000 0.704 612 E CB -1.050 28.654 29.700 0.006 0.000 1.194 612 E HN 0.782 nan 8.360 nan 0.000 0.375 613 K N -1.253 119.159 120.400 0.019 0.000 3.088 613 K HA -0.255 4.065 4.320 -0.000 0.000 0.273 613 K C -0.502 176.109 176.600 0.019 0.000 1.111 613 K CA 1.366 57.668 56.287 0.026 0.000 0.803 613 K CB -0.827 31.689 32.500 0.028 0.000 1.226 613 K HN 0.309 nan 8.250 nan 0.000 0.485 614 K N 0.785 121.184 120.400 -0.002 0.000 2.507 614 K HA 0.378 4.698 4.320 -0.000 0.000 0.251 614 K C -0.247 176.316 176.600 -0.062 0.000 0.943 614 K CA -0.739 55.533 56.287 -0.024 0.000 0.794 614 K CB 1.713 34.199 32.500 -0.022 0.000 1.188 614 K HN -0.026 nan 8.250 nan 0.000 0.428 615 L N 1.830 122.982 121.223 -0.118 0.000 2.416 615 L HA 0.260 4.600 4.340 -0.000 0.000 0.272 615 L C 0.531 177.314 176.870 -0.145 0.000 1.161 615 L CA 0.298 55.035 54.840 -0.172 0.000 0.845 615 L CB 0.907 42.769 42.059 -0.329 0.000 1.119 615 L HN 0.640 nan 8.230 nan 0.000 0.464 616 T N 3.081 117.553 114.554 -0.135 0.000 2.923 616 T HA 0.432 4.782 4.350 -0.000 0.000 0.311 616 T C -0.567 174.032 174.700 -0.168 0.000 1.183 616 T CA -0.798 61.223 62.100 -0.132 0.000 1.020 616 T CB 1.185 69.991 68.868 -0.104 0.000 1.165 616 T HN 0.558 nan 8.240 nan 0.000 0.482 617 R N 2.641 123.042 120.500 -0.166 0.000 2.459 617 R HA 0.558 4.898 4.340 -0.000 0.000 0.281 617 R C -0.450 175.676 176.300 -0.290 0.000 1.050 617 R CA -0.943 55.035 56.100 -0.205 0.000 1.055 617 R CB 0.683 30.911 30.300 -0.121 0.000 1.045 617 R HN 0.298 nan 8.270 nan 0.000 0.495 618 K N 2.943 123.051 120.400 -0.486 0.000 2.572 618 K HA 0.177 4.497 4.320 -0.000 0.000 0.244 618 K C -0.820 175.550 176.600 -0.383 0.000 0.965 618 K CA -0.367 55.596 56.287 -0.540 0.000 0.943 618 K CB 1.719 33.617 32.500 -1.004 0.000 1.154 618 K HN 0.587 nan 8.250 nan 0.000 0.447 619 E N 2.019 122.095 120.200 -0.206 0.000 2.324 619 E HA 0.173 4.523 4.350 -0.000 0.000 0.271 619 E C 0.476 177.010 176.600 -0.110 0.000 1.028 619 E CA -0.275 56.026 56.400 -0.165 0.000 0.890 619 E CB 0.855 30.453 29.700 -0.171 0.000 1.004 619 E HN 0.361 nan 8.360 nan 0.000 0.431 620 V N 0.863 120.708 119.914 -0.115 0.000 3.119 620 V HA 0.580 4.700 4.120 -0.000 0.000 0.311 620 V C -1.294 174.661 176.094 -0.233 0.000 1.259 620 V CA -1.009 61.283 62.300 -0.014 0.000 1.067 620 V CB 1.143 33.068 31.823 0.170 0.000 1.123 620 V HN 0.520 nan 8.190 nan 0.000 0.463 621 Y N -0.111 120.215 120.300 0.043 0.000 2.391 621 Y HA 0.683 5.233 4.550 -0.000 0.000 0.341 621 Y C 0.023 175.925 175.900 0.004 0.000 0.965 621 Y CA -0.672 57.440 58.100 0.020 0.000 1.067 621 Y CB 1.974 40.461 38.460 0.045 0.000 1.199 621 Y HN 0.519 nan 8.280 nan 0.000 0.450 622 I N 5.045 125.684 120.570 0.115 0.000 2.337 622 I HA 0.162 4.332 4.170 -0.000 0.000 0.291 622 I C -0.258 175.898 176.117 0.065 0.000 1.046 622 I CA -0.818 60.518 61.300 0.060 0.000 1.324 622 I CB 0.525 38.538 38.000 0.022 0.000 1.409 622 I HN 0.366 nan 8.210 nan 0.000 0.494 623 K N 5.607 126.027 120.400 0.034 0.000 2.083 623 K HA 0.051 4.371 4.320 -0.000 0.000 0.246 623 K C 0.345 176.955 176.600 0.017 0.000 1.160 623 K CA 0.124 56.421 56.287 0.018 0.000 1.060 623 K CB -0.338 32.153 32.500 -0.014 0.000 1.417 623 K HN 0.448 nan 8.250 nan 0.000 0.329 624 N N 0.845 119.557 118.700 0.020 0.000 2.184 624 N HA 0.042 4.782 4.740 -0.000 0.000 0.206 624 N C 0.685 176.198 175.510 0.005 0.000 1.151 624 N CA 0.006 53.064 53.050 0.014 0.000 0.878 624 N CB 0.692 39.182 38.487 0.005 0.000 1.014 624 N HN 0.470 nan 8.380 nan 0.000 0.512 625 G N 0.135 108.936 108.800 0.003 0.000 2.975 625 G HA2 0.006 3.966 3.960 -0.000 0.000 0.159 625 G HA3 0.006 3.966 3.960 -0.000 0.000 0.159 625 G C 0.469 175.364 174.900 -0.008 0.000 1.525 625 G CA 0.394 45.489 45.100 -0.007 0.000 1.075 625 G HN 0.349 nan 8.290 nan 0.000 0.574 626 D N -0.716 119.674 120.400 -0.016 0.000 2.355 626 D HA -0.010 4.630 4.640 -0.000 0.000 0.218 626 D C 1.434 177.728 176.300 -0.010 0.000 1.004 626 D CA 0.521 54.513 54.000 -0.014 0.000 0.880 626 D CB 0.059 40.844 40.800 -0.025 0.000 0.911 626 D HN 0.397 nan 8.370 nan 0.000 0.528 627 K N 0.162 120.555 120.400 -0.012 0.000 2.437 627 K HA 0.087 4.406 4.320 -0.000 0.000 0.198 627 K C 1.627 178.226 176.600 -0.002 0.000 1.024 627 K CA -0.161 56.118 56.287 -0.012 0.000 1.148 627 K CB 0.483 32.968 32.500 -0.025 0.000 0.860 627 K HN 0.066 nan 8.250 nan 0.000 0.515 628 K N 1.074 121.478 120.400 0.007 0.000 2.025 628 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 628 K C 2.031 178.652 176.600 0.034 0.000 1.049 628 K CA 1.501 57.800 56.287 0.020 0.000 0.933 628 K CB -0.168 32.349 32.500 0.029 0.000 0.714 628 K HN 0.227 nan 8.250 nan 0.000 0.438 629 G N 0.111 108.932 108.800 0.034 0.000 2.422 629 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 629 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 629 G C 1.442 176.371 174.900 0.047 0.000 1.146 629 G CA 1.033 46.159 45.100 0.044 0.000 0.769 629 G HN 0.342 nan 8.290 nan 0.000 0.547 630 S N -0.601 115.119 115.700 0.032 0.000 2.382 630 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 630 S C 2.243 176.867 174.600 0.039 0.000 1.027 630 S CA 1.083 59.303 58.200 0.034 0.000 0.991 630 S CB -0.486 62.722 63.200 0.014 0.000 0.823 630 S HN 0.525 nan 8.310 nan 0.000 0.469 631 c N 1.856 120.466 118.600 0.017 0.000 2.485 631 c HA 0.116 4.686 4.570 -0.000 0.000 0.277 631 c C 2.414 176.525 174.090 0.035 0.000 1.376 631 c CA 0.245 56.559 56.329 -0.026 0.000 1.759 631 c CB -1.121 41.333 42.510 -0.093 0.000 1.970 631 c HN 0.565 nan 8.230 nan 0.000 0.509 632 E N 0.121 120.392 120.200 0.119 0.000 2.051 632 E HA -0.085 4.265 4.350 -0.000 0.000 0.189 632 E C 2.269 178.996 176.600 0.212 0.000 0.979 632 E CA 0.714 57.266 56.400 0.253 0.000 0.803 632 E CB -0.182 29.626 29.700 0.181 0.000 0.761 632 E HN 0.568 nan 8.360 nan 0.000 0.451 633 R N 1.055 121.637 120.500 0.136 0.000 2.293 633 R HA -0.105 4.235 4.340 -0.000 0.000 0.219 633 R C 0.780 177.177 176.300 0.160 0.000 1.091 633 R CA 0.824 56.991 56.100 0.111 0.000 1.004 633 R CB -0.051 30.298 30.300 0.081 0.000 0.865 633 R HN 0.115 nan 8.270 nan 0.000 0.469 634 D N 0.283 120.821 120.400 0.230 0.000 2.363 634 D HA 0.003 4.643 4.640 -0.000 0.000 0.226 634 D C 1.105 177.639 176.300 0.390 0.000 1.020 634 D CA 0.367 54.579 54.000 0.353 0.000 0.892 634 D CB 0.255 41.208 40.800 0.254 0.000 0.900 634 D HN 0.202 nan 8.370 nan 0.000 0.531 635 A N 0.710 123.702 122.820 0.287 0.000 2.238 635 A HA -0.104 4.215 4.320 -0.000 0.000 0.208 635 A C 1.988 179.622 177.584 0.083 0.000 1.177 635 A CA 0.305 52.465 52.037 0.206 0.000 0.804 635 A CB -0.381 18.617 19.000 -0.003 0.000 0.823 635 A HN 0.323 nan 8.150 nan 0.000 0.482 636 Q N -1.685 118.151 119.800 0.060 0.000 2.245 636 Q HA -0.111 4.229 4.340 -0.000 0.000 0.201 636 Q C 1.034 176.969 176.000 -0.109 0.000 0.955 636 Q CA 1.215 56.974 55.803 -0.072 0.000 0.870 636 Q CB -0.597 27.998 28.738 -0.237 0.000 0.945 636 Q HN 0.682 nan 8.270 nan 0.000 0.461 637 Y N 1.549 121.872 120.300 0.038 0.000 2.561 637 Y HA 0.249 4.799 4.550 -0.000 0.000 0.291 637 Y C 1.250 177.231 175.900 0.136 0.000 1.141 637 Y CA -0.011 58.097 58.100 0.013 0.000 1.303 637 Y CB -0.062 38.292 38.460 -0.176 0.000 1.015 637 Y HN 0.173 nan 8.280 nan 0.000 0.547 638 A N 1.397 124.404 122.820 0.312 0.000 2.445 638 A HA 0.235 4.555 4.320 -0.000 0.000 0.242 638 A C -2.338 175.447 177.584 0.334 0.000 1.075 638 A CA -1.378 50.859 52.037 0.333 0.000 0.777 638 A CB -0.318 18.855 19.000 0.289 0.000 1.013 638 A HN -0.000 nan 8.150 nan 0.000 0.493 639 P HA 0.244 nan 4.420 nan 0.000 0.261 639 P C 1.049 178.409 177.300 0.099 0.000 1.203 639 P CA 1.856 65.055 63.100 0.166 0.000 0.767 639 P CB 0.529 32.311 31.700 0.138 0.000 0.785 640 G N 2.812 111.606 108.800 -0.009 0.000 2.284 640 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.230 640 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.230 640 G C 0.538 175.267 174.900 -0.284 0.000 1.021 640 G CA -0.308 44.674 45.100 -0.196 0.000 0.619 640 G HN 0.471 nan 8.290 nan 0.000 0.510 641 Y N 2.483 122.745 120.300 -0.064 0.000 2.470 641 Y HA 0.241 4.791 4.550 -0.000 0.000 0.284 641 Y C 2.059 177.914 175.900 -0.075 0.000 1.188 641 Y CA 0.557 58.610 58.100 -0.078 0.000 1.269 641 Y CB 0.148 38.559 38.460 -0.081 0.000 1.094 641 Y HN 0.419 nan 8.280 nan 0.000 0.518 642 D N 0.630 121.049 120.400 0.032 0.000 2.347 642 D HA -0.139 4.501 4.640 -0.000 0.000 0.215 642 D C 0.686 176.958 176.300 -0.046 0.000 0.976 642 D CA 0.645 54.632 54.000 -0.021 0.000 0.884 642 D CB -0.202 40.587 40.800 -0.017 0.000 0.915 642 D HN 0.490 nan 8.370 nan 0.000 0.526 643 K N 0.079 120.452 120.400 -0.046 0.000 2.792 643 K HA 0.318 4.638 4.320 -0.000 0.000 0.207 643 K C -0.640 175.931 176.600 -0.049 0.000 1.103 643 K CA -0.544 55.712 56.287 -0.052 0.000 1.048 643 K CB 0.819 33.285 32.500 -0.058 0.000 0.777 643 K HN -0.138 nan 8.250 nan 0.000 0.468 644 V N 2.612 122.508 119.914 -0.030 0.000 2.488 644 V HA 0.093 4.213 4.120 -0.000 0.000 0.277 644 V C 1.068 177.151 176.094 -0.018 0.000 1.046 644 V CA -0.337 61.953 62.300 -0.017 0.000 0.986 644 V CB 1.181 33.028 31.823 0.040 0.000 0.989 644 V HN 0.389 nan 8.190 nan 0.000 0.475 645 K N 2.254 122.640 120.400 -0.023 0.000 1.973 645 K HA -0.077 4.242 4.320 -0.000 0.000 0.212 645 K C 0.496 177.089 176.600 -0.010 0.000 1.047 645 K CA 1.271 57.546 56.287 -0.020 0.000 0.937 645 K CB 0.037 32.524 32.500 -0.023 0.000 0.721 645 K HN 0.650 nan 8.250 nan 0.000 0.440 646 D N 0.095 120.494 120.400 -0.002 0.000 2.349 646 D HA 0.080 4.720 4.640 -0.000 0.000 0.232 646 D C 0.180 176.491 176.300 0.018 0.000 1.071 646 D CA -0.370 53.635 54.000 0.008 0.000 0.832 646 D CB 1.413 42.220 40.800 0.011 0.000 1.086 646 D HN -0.078 nan 8.370 nan 0.000 0.504 647 I N 3.203 123.783 120.570 0.016 0.000 2.756 647 I HA -0.158 4.012 4.170 -0.000 0.000 0.262 647 I C 1.791 177.917 176.117 0.015 0.000 1.225 647 I CA 1.157 62.466 61.300 0.016 0.000 1.472 647 I CB -0.132 37.874 38.000 0.010 0.000 1.094 647 I HN 0.413 nan 8.210 nan 0.000 0.454 648 S N -1.036 114.681 115.700 0.028 0.000 2.607 648 S HA -0.052 4.418 4.470 -0.000 0.000 0.224 648 S C 1.769 176.406 174.600 0.061 0.000 0.969 648 S CA 0.684 58.908 58.200 0.040 0.000 0.927 648 S CB -0.245 62.982 63.200 0.045 0.000 0.772 648 S HN 0.525 nan 8.310 nan 0.000 0.533 649 E N 1.733 121.973 120.200 0.067 0.000 2.276 649 E HA 0.017 4.367 4.350 -0.000 0.000 0.193 649 E C 1.758 178.475 176.600 0.196 0.000 0.983 649 E CA 0.955 57.422 56.400 0.110 0.000 0.861 649 E CB 0.029 29.768 29.700 0.065 0.000 0.817 649 E HN 0.498 nan 8.360 nan 0.000 0.485 650 V N -1.825 118.162 119.914 0.122 0.000 3.506 650 V HA 0.233 4.353 4.120 -0.000 0.000 0.263 650 V C 0.701 176.690 176.094 -0.176 0.000 1.203 650 V CA 0.113 62.478 62.300 0.107 0.000 1.133 650 V CB 0.491 32.378 31.823 0.106 0.000 0.802 650 V HN -0.025 nan 8.190 nan 0.000 0.459 651 V N 3.221 123.039 119.914 -0.159 0.000 2.235 651 V HA 0.340 4.460 4.120 -0.000 0.000 0.266 651 V C 0.744 176.859 176.094 0.035 0.000 1.055 651 V CA 0.248 62.368 62.300 -0.300 0.000 0.844 651 V CB 0.155 31.825 31.823 -0.256 0.000 1.097 651 V HN 0.650 nan 8.190 nan 0.000 0.453 652 T N 1.718 116.419 114.554 0.245 0.000 2.856 652 T HA 0.207 4.557 4.350 -0.000 0.000 0.306 652 T C -1.440 173.429 174.700 0.282 0.000 1.062 652 T CA -1.283 60.979 62.100 0.270 0.000 1.083 652 T CB 0.983 69.966 68.868 0.191 0.000 0.984 652 T HN 0.315 nan 8.240 nan 0.000 0.542 653 P HA -0.007 nan 4.420 nan 0.000 0.226 653 P C 0.749 178.077 177.300 0.046 0.000 1.146 653 P CA 0.612 63.773 63.100 0.102 0.000 0.773 653 P CB 0.005 31.749 31.700 0.073 0.000 0.772 654 R N -1.266 119.185 120.500 -0.082 0.000 2.541 654 R HA 0.226 4.566 4.340 -0.000 0.000 0.245 654 R C -0.285 175.752 176.300 -0.438 0.000 1.154 654 R CA 0.048 55.957 56.100 -0.318 0.000 1.179 654 R CB -1.160 28.716 30.300 -0.706 0.000 1.189 654 R HN 0.175 nan 8.270 nan 0.000 0.526 655 F N -0.467 119.485 119.950 0.003 0.000 2.540 655 F HA 0.447 4.974 4.527 -0.000 0.000 0.317 655 F C -0.169 175.693 175.800 0.103 0.000 1.104 655 F CA -1.019 57.023 58.000 0.071 0.000 0.913 655 F CB 1.590 40.653 39.000 0.105 0.000 1.170 655 F HN -0.255 nan 8.300 nan 0.000 0.450 656 L N 3.648 125.049 121.223 0.297 0.000 2.294 656 L HA 0.398 4.738 4.340 -0.000 0.000 0.283 656 L C -0.692 176.276 176.870 0.164 0.000 1.015 656 L CA -0.622 54.339 54.840 0.202 0.000 0.831 656 L CB 1.490 43.639 42.059 0.150 0.000 1.217 656 L HN 0.633 nan 8.230 nan 0.000 0.420 657 c N 3.524 122.146 118.600 0.036 0.000 2.435 657 c HA 0.720 5.290 4.570 -0.000 0.000 0.375 657 c C 0.934 174.921 174.090 -0.172 0.000 1.281 657 c CA -0.046 56.128 56.329 -0.260 0.000 1.963 657 c CB 0.127 42.457 42.510 -0.299 0.000 2.490 657 c HN 0.941 nan 8.230 nan 0.000 0.557 658 T N 2.499 116.905 114.554 -0.247 0.000 2.742 658 T HA 0.874 5.224 4.350 -0.000 0.000 0.282 658 T C 0.123 174.731 174.700 -0.155 0.000 1.025 658 T CA 0.329 62.375 62.100 -0.090 0.000 1.020 658 T CB 0.845 69.754 68.868 0.070 0.000 1.317 658 T HN 2.355 nan 8.240 nan 0.000 0.538 659 G N -1.381 107.399 108.800 -0.035 0.000 2.819 659 G HA2 0.435 4.395 3.960 -0.000 0.000 0.682 659 G HA3 0.435 4.395 3.960 -0.000 0.000 0.682 659 G C 0.220 175.089 174.900 -0.052 0.000 1.481 659 G CA 0.053 45.132 45.100 -0.036 0.000 0.904 659 G HN 2.638 nan 8.290 nan 0.000 0.563 660 G N -2.361 106.420 108.800 -0.032 0.000 2.278 660 G HA2 0.496 4.456 3.960 -0.000 0.000 0.265 660 G HA3 0.496 4.456 3.960 -0.000 0.000 0.265 660 G C 0.739 175.628 174.900 -0.018 0.000 1.329 660 G CA 1.370 46.444 45.100 -0.043 0.000 1.017 660 G HN 2.355 nan 8.290 nan 0.000 0.472 661 V N -3.414 116.481 119.914 -0.032 0.000 3.612 661 V HA 0.652 4.772 4.120 -0.000 0.000 0.268 661 V C 0.829 176.885 176.094 -0.062 0.000 1.365 661 V CA 1.447 63.728 62.300 -0.033 0.000 1.044 661 V CB 0.645 32.441 31.823 -0.046 0.000 0.820 661 V HN 1.523 nan 8.190 nan 0.000 0.444 662 S N 0.912 116.566 115.700 -0.077 0.000 2.482 662 S HA 0.687 5.157 4.470 -0.000 0.000 0.303 662 S C -1.983 172.537 174.600 -0.133 0.000 1.091 662 S CA -1.076 57.043 58.200 -0.135 0.000 1.057 662 S CB 1.932 65.063 63.200 -0.116 0.000 1.031 662 S HN 0.195 nan 8.310 nan 0.000 0.485 663 P HA 0.142 nan 4.420 nan 0.000 0.225 663 P C -0.853 176.074 177.300 -0.621 0.000 1.156 663 P CA 0.951 63.796 63.100 -0.424 0.000 0.787 663 P CB 0.047 31.460 31.700 -0.478 0.000 0.802 664 Y N -1.780 118.412 120.300 -0.180 0.000 2.634 664 Y HA 0.630 5.180 4.550 -0.000 0.000 0.340 664 Y C 0.227 176.127 175.900 0.000 0.000 1.058 664 Y CA -1.870 56.193 58.100 -0.063 0.000 1.081 664 Y CB 0.801 39.258 38.460 -0.005 0.000 1.295 664 Y HN -0.374 nan 8.280 nan 0.000 0.487 665 A N 1.659 124.598 122.820 0.197 0.000 2.671 665 A HA 0.280 4.600 4.320 -0.000 0.000 0.306 665 A C -1.011 176.657 177.584 0.141 0.000 1.473 665 A CA -0.489 51.618 52.037 0.117 0.000 1.155 665 A CB -1.042 18.005 19.000 0.077 0.000 1.123 665 A HN 0.556 nan 8.150 nan 0.000 0.545 666 D N 3.647 124.135 120.400 0.146 0.000 2.308 666 D HA 0.375 5.015 4.640 -0.000 0.000 0.251 666 D C -2.396 173.978 176.300 0.124 0.000 1.127 666 D CA -1.174 52.922 54.000 0.160 0.000 0.876 666 D CB 0.676 41.588 40.800 0.187 0.000 1.176 666 D HN 0.250 nan 8.370 nan 0.000 0.446 667 P HA 0.093 nan 4.420 nan 0.000 0.268 667 P C -0.400 177.046 177.300 0.244 0.000 1.205 667 P CA -0.200 62.993 63.100 0.155 0.000 0.771 667 P CB 0.599 32.368 31.700 0.115 0.000 0.858 668 N N 0.107 118.907 118.700 0.166 0.000 2.495 668 N HA 0.349 5.089 4.740 -0.000 0.000 0.280 668 N C -0.192 175.395 175.510 0.128 0.000 1.168 668 N CA -0.354 52.749 53.050 0.089 0.000 0.978 668 N CB 0.203 38.695 38.487 0.008 0.000 1.191 668 N HN 0.363 nan 8.380 nan 0.000 0.497 669 T N -2.180 112.316 114.554 -0.096 0.000 2.889 669 T HA 0.521 4.871 4.350 -0.000 0.000 0.291 669 T C 0.391 175.081 174.700 -0.016 0.000 0.995 669 T CA -0.661 61.352 62.100 -0.146 0.000 1.092 669 T CB 0.085 68.712 68.868 -0.401 0.000 0.954 669 T HN 0.370 nan 8.240 nan 0.000 0.506 670 c N 1.920 120.553 118.600 0.055 0.000 2.534 670 c HA 0.541 5.110 4.570 -0.000 0.000 0.398 670 c C 2.321 176.443 174.090 0.054 0.000 1.609 670 c CA -0.884 55.481 56.329 0.059 0.000 1.916 670 c CB 0.794 43.353 42.510 0.082 0.000 1.954 670 c HN 1.169 nan 8.230 nan 0.000 0.508 671 R N 0.342 120.878 120.500 0.061 0.000 2.090 671 R HA -0.026 4.314 4.340 -0.000 0.000 0.228 671 R C 1.918 178.263 176.300 0.075 0.000 1.110 671 R CA 1.744 57.886 56.100 0.071 0.000 0.973 671 R CB -0.812 29.525 30.300 0.061 0.000 0.869 671 R HN 0.929 nan 8.270 nan 0.000 0.440 672 G N -0.021 108.822 108.800 0.072 0.000 2.484 672 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 672 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 672 G C 0.583 175.535 174.900 0.087 0.000 1.130 672 G CA 0.495 45.640 45.100 0.075 0.000 0.784 672 G HN 0.323 nan 8.290 nan 0.000 0.543 673 D N 0.197 120.656 120.400 0.098 0.000 2.355 673 D HA 0.072 4.712 4.640 -0.000 0.000 0.218 673 D C 1.439 177.800 176.300 0.101 0.000 1.004 673 D CA 0.096 54.170 54.000 0.123 0.000 0.880 673 D CB 0.115 41.016 40.800 0.169 0.000 0.911 673 D HN 0.174 nan 8.370 nan 0.000 0.528 674 S N -0.532 115.223 115.700 0.092 0.000 2.558 674 S HA 0.266 4.736 4.470 -0.000 0.000 0.293 674 S C 1.497 176.160 174.600 0.105 0.000 1.292 674 S CA 0.924 59.195 58.200 0.118 0.000 1.063 674 S CB 0.288 63.599 63.200 0.185 0.000 0.831 674 S HN 0.484 nan 8.310 nan 0.000 0.499 675 G N 3.047 111.930 108.800 0.139 0.000 2.176 675 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.253 675 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.253 675 G C 0.532 175.519 174.900 0.146 0.000 0.979 675 G CA 0.132 45.312 45.100 0.133 0.000 0.641 675 G HN 1.312 nan 8.290 nan 0.000 0.530 676 G N 0.369 109.258 108.800 0.148 0.000 2.544 676 G HA2 0.506 4.466 3.960 -0.000 0.000 0.242 676 G HA3 0.506 4.466 3.960 -0.000 0.000 0.242 676 G C -2.123 172.876 174.900 0.165 0.000 1.247 676 G CA -0.419 44.785 45.100 0.173 0.000 0.840 676 G HN 0.249 nan 8.290 nan 0.000 0.578 677 P HA 0.156 nan 4.420 nan 0.000 0.281 677 P C -0.408 176.940 177.300 0.081 0.000 1.252 677 P CA -0.584 62.583 63.100 0.111 0.000 0.778 677 P CB 1.228 32.990 31.700 0.103 0.000 0.895 678 L N 5.671 126.886 121.223 -0.014 0.000 2.302 678 L HA 0.354 4.694 4.340 -0.000 0.000 0.285 678 L C -0.683 176.155 176.870 -0.054 0.000 1.090 678 L CA -0.053 54.732 54.840 -0.092 0.000 0.866 678 L CB -0.899 40.982 42.059 -0.297 0.000 1.244 678 L HN 0.244 nan 8.230 nan 0.000 0.435 679 I N 4.561 125.128 120.570 -0.005 0.000 2.488 679 I HA 0.382 4.552 4.170 -0.000 0.000 0.299 679 I C -0.461 175.659 176.117 0.005 0.000 0.984 679 I CA -0.984 60.308 61.300 -0.013 0.000 1.250 679 I CB 1.794 39.809 38.000 0.026 0.000 1.389 679 I HN 0.115 nan 8.210 nan 0.000 0.488 680 V N 4.309 124.208 119.914 -0.024 0.000 2.304 680 V HA 0.133 4.253 4.120 -0.000 0.000 0.278 680 V C -0.270 175.769 176.094 -0.091 0.000 1.018 680 V CA -0.626 61.646 62.300 -0.047 0.000 0.814 680 V CB 0.694 32.484 31.823 -0.055 0.000 1.021 680 V HN 0.618 nan 8.190 nan 0.000 0.440 681 H N 5.402 124.356 119.070 -0.193 0.000 3.089 681 H HA 0.419 4.975 4.556 -0.000 0.000 0.262 681 H C -0.147 175.009 175.328 -0.288 0.000 1.160 681 H CA 0.501 56.330 56.048 -0.366 0.000 1.482 681 H CB 0.133 29.672 29.762 -0.372 0.000 1.511 681 H HN 0.566 nan 8.280 nan 0.000 0.483 682 K N 3.797 123.870 120.400 -0.546 0.000 2.464 682 K HA 0.324 4.644 4.320 -0.000 0.000 0.253 682 K C -0.194 176.155 176.600 -0.418 0.000 0.933 682 K CA -1.181 54.882 56.287 -0.375 0.000 0.801 682 K CB 1.934 34.309 32.500 -0.207 0.000 1.271 682 K HN 0.573 nan 8.250 nan 0.000 0.430 683 R N 0.409 120.733 120.500 -0.293 0.000 3.641 683 R HA -0.173 4.167 4.340 -0.000 0.000 0.286 683 R C -0.672 175.457 176.300 -0.286 0.000 1.153 683 R CA 0.925 56.892 56.100 -0.222 0.000 0.775 683 R CB -3.157 27.044 30.300 -0.165 0.000 1.215 683 R HN 0.982 nan 8.270 nan 0.000 0.474 684 S N -1.509 113.925 115.700 -0.444 0.000 3.561 684 S HA -0.215 4.255 4.470 -0.000 0.000 0.318 684 S C 0.236 174.556 174.600 -0.466 0.000 1.181 684 S CA 1.677 59.632 58.200 -0.409 0.000 0.916 684 S CB -0.509 62.617 63.200 -0.123 0.000 0.966 684 S HN 0.440 nan 8.310 nan 0.000 0.550 685 R N -0.660 119.428 120.500 -0.687 0.000 2.854 685 R HA 0.702 5.042 4.340 -0.000 0.000 0.271 685 R C -0.913 174.979 176.300 -0.681 0.000 0.994 685 R CA -0.659 55.167 56.100 -0.456 0.000 0.945 685 R CB 0.567 30.712 30.300 -0.258 0.000 1.194 685 R HN 0.165 nan 8.270 nan 0.000 0.476 686 F N 2.004 121.827 119.950 -0.212 0.000 2.403 686 F HA 0.442 4.969 4.527 -0.000 0.000 0.355 686 F C 0.141 175.740 175.800 -0.335 0.000 1.119 686 F CA -0.751 57.077 58.000 -0.286 0.000 1.007 686 F CB 1.225 39.932 39.000 -0.489 0.000 1.194 686 F HN 0.054 nan 8.300 nan 0.000 0.443 687 I N 3.204 123.694 120.570 -0.132 0.000 2.362 687 I HA 0.250 4.420 4.170 -0.000 0.000 0.289 687 I C -0.174 175.868 176.117 -0.125 0.000 0.994 687 I CA -0.792 60.428 61.300 -0.134 0.000 1.158 687 I CB 1.458 39.400 38.000 -0.097 0.000 1.315 687 I HN 0.628 nan 8.210 nan 0.000 0.451 688 Q N 4.903 124.611 119.800 -0.154 0.000 2.288 688 Q HA 0.340 4.680 4.340 -0.000 0.000 0.258 688 Q C 0.341 176.298 176.000 -0.072 0.000 0.957 688 Q CA -0.197 55.533 55.803 -0.121 0.000 0.919 688 Q CB 1.427 30.085 28.738 -0.133 0.000 1.185 688 Q HN 0.689 nan 8.270 nan 0.000 0.408 689 V N 0.473 120.371 119.914 -0.027 0.000 3.548 689 V HA 0.588 4.708 4.120 -0.000 0.000 0.279 689 V C 0.345 176.467 176.094 0.047 0.000 1.446 689 V CA 0.516 62.841 62.300 0.042 0.000 1.023 689 V CB 0.643 32.554 31.823 0.146 0.000 0.820 689 V HN 0.620 nan 8.190 nan 0.000 0.438 690 G N -0.507 108.295 108.800 0.002 0.000 2.695 690 G HA2 0.630 4.590 3.960 -0.000 0.000 0.290 690 G HA3 0.630 4.590 3.960 -0.000 0.000 0.290 690 G C -1.919 173.001 174.900 0.033 0.000 1.410 690 G CA -0.518 44.592 45.100 0.017 0.000 0.844 690 G HN 0.317 nan 8.290 nan 0.000 0.478 691 V N 1.162 121.137 119.914 0.101 0.000 2.525 691 V HA 0.329 4.449 4.120 -0.000 0.000 0.299 691 V C 0.228 176.467 176.094 0.242 0.000 1.034 691 V CA -0.607 61.781 62.300 0.146 0.000 0.863 691 V CB 1.555 33.460 31.823 0.137 0.000 0.999 691 V HN 0.701 nan 8.190 nan 0.000 0.423 692 I N 3.479 124.221 120.570 0.286 0.000 2.845 692 I HA -0.053 4.116 4.170 -0.000 0.000 0.290 692 I C 1.329 177.537 176.117 0.152 0.000 1.202 692 I CA 0.876 62.331 61.300 0.259 0.000 1.406 692 I CB 0.636 38.711 38.000 0.125 0.000 1.383 692 I HN 0.812 nan 8.210 nan 0.000 0.549 693 S N 8.005 123.729 115.700 0.040 0.000 2.583 693 S HA 0.249 4.719 4.470 -0.000 0.000 0.203 693 S C -0.278 174.278 174.600 -0.074 0.000 0.952 693 S CA -0.165 58.115 58.200 0.134 0.000 0.887 693 S CB 0.489 63.870 63.200 0.301 0.000 0.857 693 S HN 0.707 nan 8.310 nan 0.000 0.611 694 W N 0.381 121.457 121.300 -0.373 0.000 3.118 694 W HA 0.725 5.385 4.660 -0.000 0.000 0.328 694 W C -0.547 175.836 176.519 -0.228 0.000 1.239 694 W CA -1.093 55.955 57.345 -0.496 0.000 1.176 694 W CB 0.429 29.299 29.460 -0.984 0.000 1.433 694 W HN 0.419 nan 8.180 nan 0.000 0.562 695 G N 0.271 109.070 108.800 -0.000 0.000 2.498 695 G HA2 0.481 4.441 3.960 -0.000 0.000 0.312 695 G HA3 0.481 4.441 3.960 -0.000 0.000 0.312 695 G C -0.250 174.756 174.900 0.177 0.000 1.230 695 G CA -0.674 44.387 45.100 -0.065 0.000 0.968 695 G HN 0.363 nan 8.290 nan 0.000 0.481 696 V N 0.243 120.228 119.914 0.119 0.000 2.283 696 V HA 0.001 4.121 4.120 -0.000 0.000 0.243 696 V C 0.928 177.143 176.094 0.202 0.000 1.039 696 V CA 1.017 63.469 62.300 0.252 0.000 1.016 696 V CB -0.256 31.711 31.823 0.240 0.000 0.650 696 V HN 0.351 nan 8.190 nan 0.000 0.449 697 V N 1.190 121.164 119.914 0.101 0.000 2.444 697 V HA 0.349 4.469 4.120 -0.000 0.000 0.294 697 V C -0.721 175.398 176.094 0.042 0.000 1.022 697 V CA -0.810 61.534 62.300 0.074 0.000 0.850 697 V CB 1.529 33.354 31.823 0.004 0.000 0.992 697 V HN 0.359 nan 8.190 nan 0.000 0.426 698 D N 3.846 124.282 120.400 0.061 0.000 2.363 698 D HA 0.102 4.742 4.640 -0.000 0.000 0.263 698 D C 0.783 177.102 176.300 0.031 0.000 1.258 698 D CA 0.139 54.168 54.000 0.047 0.000 0.907 698 D CB 1.569 42.405 40.800 0.059 0.000 1.107 698 D HN 0.449 nan 8.370 nan 0.000 0.495 699 V N 1.425 121.353 119.914 0.022 0.000 3.483 699 V HA 0.325 4.445 4.120 -0.000 0.000 0.301 699 V C 0.083 176.193 176.094 0.027 0.000 1.389 699 V CA -0.463 61.847 62.300 0.017 0.000 1.101 699 V CB -0.632 31.195 31.823 0.008 0.000 0.971 699 V HN 0.508 nan 8.190 nan 0.000 0.434 700 c N 1.142 119.762 118.600 0.034 0.000 2.364 700 c HA 0.629 5.199 4.570 -0.000 0.000 0.324 700 c C 0.431 174.543 174.090 0.037 0.000 1.234 700 c CA -0.624 55.727 56.329 0.038 0.000 1.417 700 c CB 1.189 43.727 42.510 0.047 0.000 2.101 700 c HN 0.538 nan 8.230 nan 0.000 0.466 701 K N 2.047 122.467 120.400 0.034 0.000 2.972 701 K HA 0.167 4.486 4.320 -0.000 0.000 0.209 701 K C 0.062 176.681 176.600 0.032 0.000 1.128 701 K CA -0.234 56.072 56.287 0.032 0.000 1.024 701 K CB 0.115 32.632 32.500 0.029 0.000 0.754 701 K HN 0.656 nan 8.250 nan 0.000 0.454 702 N N 1.426 120.148 118.700 0.036 0.000 2.713 702 N HA -0.272 4.468 4.740 -0.000 0.000 0.251 702 N C 0.558 176.087 175.510 0.033 0.000 1.117 702 N CA 1.571 54.644 53.050 0.038 0.000 0.770 702 N CB -0.902 37.609 38.487 0.041 0.000 1.137 702 N HN 0.631 nan 8.380 nan 0.000 0.566 703 Q N -0.658 119.159 119.800 0.029 0.000 2.341 703 Q HA 0.245 4.585 4.340 -0.000 0.000 0.173 703 Q C -0.499 175.515 176.000 0.022 0.000 0.659 703 Q CA 0.257 56.075 55.803 0.025 0.000 0.776 703 Q CB 0.781 29.532 28.738 0.023 0.000 1.108 703 Q HN 0.253 nan 8.270 nan 0.000 0.538 704 K N 0.080 120.493 120.400 0.021 0.000 2.439 704 K HA 0.483 4.803 4.320 -0.000 0.000 0.260 704 K C -1.168 175.444 176.600 0.021 0.000 1.032 704 K CA -0.974 55.324 56.287 0.019 0.000 0.882 704 K CB 1.477 33.987 32.500 0.015 0.000 1.420 704 K HN 0.018 nan 8.250 nan 0.000 0.455 705 R N 1.707 122.218 120.500 0.019 0.000 2.490 705 R HA 0.029 4.369 4.340 -0.000 0.000 0.280 705 R C 0.963 177.272 176.300 0.015 0.000 1.077 705 R CA 0.045 56.157 56.100 0.020 0.000 1.065 705 R CB 0.861 31.174 30.300 0.021 0.000 1.003 705 R HN 0.693 nan 8.270 nan 0.000 0.470 706 Q N 2.784 122.592 119.800 0.013 0.000 2.096 706 Q HA -0.271 4.069 4.340 -0.000 0.000 0.208 706 Q C 0.137 176.138 176.000 0.002 0.000 0.993 706 Q CA 2.649 58.456 55.803 0.006 0.000 0.862 706 Q CB 0.074 28.811 28.738 -0.002 0.000 0.915 706 Q HN 0.723 nan 8.270 nan 0.000 0.416 707 K N -2.999 117.402 120.400 0.001 0.000 3.658 707 K HA -0.229 4.091 4.320 -0.000 0.000 0.372 707 K C 0.103 176.699 176.600 -0.008 0.000 0.598 707 K CA 1.651 57.938 56.287 -0.001 0.000 1.635 707 K CB -1.232 31.269 32.500 0.002 0.000 1.178 707 K HN 0.289 nan 8.250 nan 0.000 0.470 708 Q N 1.369 121.162 119.800 -0.012 0.000 2.640 708 Q HA 0.177 4.517 4.340 -0.000 0.000 0.389 708 Q C -0.241 175.737 176.000 -0.038 0.000 1.012 708 Q CA 0.127 55.919 55.803 -0.019 0.000 1.060 708 Q CB 0.517 29.248 28.738 -0.012 0.000 1.332 708 Q HN 0.383 nan 8.270 nan 0.000 0.418 709 V N -0.795 119.090 119.914 -0.048 0.000 2.655 709 V HA 0.330 4.450 4.120 -0.000 0.000 0.300 709 V C -2.040 173.974 176.094 -0.133 0.000 1.044 709 V CA -1.491 60.758 62.300 -0.084 0.000 1.095 709 V CB -0.356 31.424 31.823 -0.072 0.000 0.952 709 V HN 0.138 nan 8.190 nan 0.000 0.485 710 P HA 0.346 nan 4.420 nan 0.000 0.271 710 P C 0.520 177.617 177.300 -0.338 0.000 1.233 710 P CA 0.046 62.931 63.100 -0.359 0.000 0.789 710 P CB 0.663 31.877 31.700 -0.809 0.000 0.951 711 A N 0.660 123.329 122.820 -0.252 0.000 2.238 711 A HA -0.062 4.258 4.320 -0.000 0.000 0.208 711 A C 0.955 178.455 177.584 -0.139 0.000 1.177 711 A CA 0.935 52.883 52.037 -0.147 0.000 0.804 711 A CB -1.281 17.678 19.000 -0.068 0.000 0.823 711 A HN 0.816 nan 8.150 nan 0.000 0.482 712 H N -3.757 115.193 119.070 -0.199 0.000 2.784 712 H HA 0.634 5.190 4.556 -0.000 0.000 0.273 712 H C 0.522 175.768 175.328 -0.136 0.000 1.112 712 H CA 0.101 56.016 56.048 -0.222 0.000 1.162 712 H CB -0.350 29.090 29.762 -0.537 0.000 1.586 712 H HN 0.180 nan 8.280 nan 0.000 0.548 713 A N 2.605 125.232 122.820 -0.323 0.000 2.785 713 A HA 0.227 4.546 4.320 -0.000 0.000 0.294 713 A C 0.040 177.537 177.584 -0.145 0.000 1.597 713 A CA -0.567 51.351 52.037 -0.197 0.000 1.283 713 A CB -0.383 18.493 19.000 -0.207 0.000 1.088 713 A HN 0.295 nan 8.150 nan 0.000 0.568 714 R N 1.363 121.778 120.500 -0.142 0.000 2.596 714 R HA 0.539 4.879 4.340 -0.000 0.000 0.267 714 R C -1.296 174.737 176.300 -0.446 0.000 1.026 714 R CA -0.686 55.227 56.100 -0.312 0.000 1.087 714 R CB 0.792 30.840 30.300 -0.421 0.000 1.132 714 R HN 0.495 nan 8.270 nan 0.000 0.531 715 D N 0.942 120.965 120.400 -0.628 0.000 2.649 715 D HA 0.375 5.015 4.640 -0.000 0.000 0.249 715 D C -0.742 174.931 176.300 -1.044 0.000 1.112 715 D CA -0.251 53.330 54.000 -0.699 0.000 0.850 715 D CB 1.202 41.712 40.800 -0.484 0.000 1.399 715 D HN 0.153 nan 8.370 nan 0.000 0.503 716 F N 1.406 120.754 119.950 -1.005 0.000 2.458 716 F HA 0.428 4.955 4.527 -0.000 0.000 0.330 716 F C 1.061 176.358 175.800 -0.839 0.000 1.082 716 F CA -0.496 56.979 58.000 -0.875 0.000 0.995 716 F CB 1.583 39.859 39.000 -1.206 0.000 1.170 716 F HN 0.181 nan 8.300 nan 0.000 0.478 717 H N 2.019 121.151 119.070 0.103 0.000 2.949 717 H HA 0.518 5.074 4.556 -0.000 0.000 0.310 717 H C -1.014 174.329 175.328 0.025 0.000 1.405 717 H CA -0.789 55.290 56.048 0.050 0.000 1.253 717 H CB 2.244 31.998 29.762 -0.013 0.000 1.932 717 H HN 0.205 nan 8.280 nan 0.000 0.602 718 I N 2.360 122.982 120.570 0.086 0.000 2.354 718 I HA 0.035 4.205 4.170 -0.000 0.000 0.286 718 I C 0.433 176.537 176.117 -0.021 0.000 1.007 718 I CA -0.745 60.487 61.300 -0.114 0.000 1.167 718 I CB 0.346 38.269 38.000 -0.129 0.000 1.320 718 I HN 0.406 nan 8.210 nan 0.000 0.458 719 N N 6.299 124.984 118.700 -0.025 0.000 2.434 719 N HA 0.055 4.795 4.740 -0.000 0.000 0.268 719 N C 0.954 176.514 175.510 0.083 0.000 1.256 719 N CA 0.226 53.324 53.050 0.079 0.000 0.914 719 N CB 0.829 39.381 38.487 0.109 0.000 1.088 719 N HN 0.529 nan 8.380 nan 0.000 0.478 720 L N 3.024 124.296 121.223 0.080 0.000 2.201 720 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 720 L C 1.301 178.159 176.870 -0.020 0.000 1.105 720 L CA 0.778 55.619 54.840 0.002 0.000 0.775 720 L CB -0.331 41.668 42.059 -0.100 0.000 0.913 720 L HN 0.514 nan 8.230 nan 0.000 0.440 721 F N -0.190 119.795 119.950 0.059 0.000 2.546 721 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 721 F C 2.478 178.323 175.800 0.074 0.000 1.120 721 F CA 0.764 58.803 58.000 0.065 0.000 1.456 721 F CB -0.128 38.900 39.000 0.046 0.000 1.088 721 F HN 0.148 nan 8.300 nan 0.000 0.572 722 Q N -0.431 119.495 119.800 0.211 0.000 2.391 722 Q HA 0.099 4.438 4.340 -0.000 0.000 0.211 722 Q C 1.738 177.864 176.000 0.211 0.000 0.908 722 Q CA 0.833 56.736 55.803 0.167 0.000 0.920 722 Q CB 0.242 29.018 28.738 0.064 0.000 1.056 722 Q HN 0.418 nan 8.270 nan 0.000 0.523 723 V N -2.287 117.747 119.914 0.200 0.000 3.099 723 V HA 0.207 4.327 4.120 -0.000 0.000 0.356 723 V C 1.548 177.807 176.094 0.274 0.000 1.364 723 V CA 0.070 62.553 62.300 0.304 0.000 1.229 723 V CB -0.829 31.173 31.823 0.298 0.000 1.227 723 V HN 0.042 nan 8.190 nan 0.000 0.493 724 L N 0.165 121.487 121.223 0.165 0.000 2.017 724 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 724 L C 0.103 176.983 176.870 0.015 0.000 1.073 724 L CA 1.870 56.750 54.840 0.066 0.000 0.745 724 L CB -1.730 40.370 42.059 0.067 0.000 0.894 724 L HN 0.365 nan 8.230 nan 0.000 0.432 725 P HA -0.230 nan 4.420 nan 0.000 0.217 725 P C 1.108 178.426 177.300 0.031 0.000 1.148 725 P CA 1.424 64.547 63.100 0.038 0.000 0.828 725 P CB -0.095 31.659 31.700 0.090 0.000 0.783 726 W N -0.031 121.229 121.300 -0.067 0.000 2.453 726 W HA 0.000 4.660 4.660 -0.000 0.000 0.289 726 W C 1.829 178.245 176.519 -0.173 0.000 1.215 726 W CA 0.989 58.271 57.345 -0.105 0.000 1.297 726 W CB -0.759 28.689 29.460 -0.020 0.000 1.113 726 W HN -0.226 nan 8.180 nan 0.000 0.551 727 L N 0.782 121.857 121.223 -0.246 0.000 2.072 727 L HA -0.151 4.189 4.340 -0.000 0.000 0.205 727 L C 2.578 178.941 176.870 -0.844 0.000 1.079 727 L CA 1.653 56.158 54.840 -0.558 0.000 0.752 727 L CB -0.965 40.935 42.059 -0.265 0.000 0.906 727 L HN -0.101 nan 8.230 nan 0.000 0.436 728 K N 0.426 120.311 120.400 -0.858 0.000 2.147 728 K HA -0.236 4.084 4.320 -0.000 0.000 0.205 728 K C 2.023 178.256 176.600 -0.612 0.000 1.049 728 K CA 1.476 57.128 56.287 -1.059 0.000 0.936 728 K CB 0.123 32.245 32.500 -0.629 0.000 0.722 728 K HN 0.308 nan 8.250 nan 0.000 0.446 729 E N 0.106 120.026 120.200 -0.467 0.000 2.086 729 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 729 E C 1.419 177.779 176.600 -0.400 0.000 0.975 729 E CA 0.663 56.860 56.400 -0.339 0.000 0.813 729 E CB 0.289 29.845 29.700 -0.240 0.000 0.768 729 E HN 0.074 nan 8.360 nan 0.000 0.457 730 K N 0.218 120.259 120.400 -0.599 0.000 2.366 730 K HA 0.022 4.342 4.320 -0.000 0.000 0.198 730 K C 1.261 177.411 176.600 -0.749 0.000 1.044 730 K CA 0.550 56.433 56.287 -0.674 0.000 0.973 730 K CB 0.240 32.157 32.500 -0.971 0.000 0.767 730 K HN 0.274 nan 8.250 nan 0.000 0.475 731 L N 1.813 122.654 121.223 -0.637 0.000 3.141 731 L HA 0.157 4.497 4.340 -0.000 0.000 0.267 731 L C 1.719 178.494 176.870 -0.157 0.000 1.281 731 L CA -0.190 54.387 54.840 -0.438 0.000 1.037 731 L CB 0.188 42.079 42.059 -0.281 0.000 1.407 731 L HN 0.103 nan 8.230 nan 0.000 0.566 732 Q N -1.181 118.509 119.800 -0.183 0.000 2.230 732 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 732 Q C -0.183 175.815 176.000 -0.003 0.000 0.963 732 Q CA 1.008 56.769 55.803 -0.070 0.000 0.866 732 Q CB 0.041 28.721 28.738 -0.097 0.000 0.931 732 Q HN 0.282 nan 8.270 nan 0.000 0.452 733 D N 0.757 121.152 120.400 -0.008 0.000 3.058 733 D HA 0.130 4.770 4.640 -0.000 0.000 0.272 733 D C -0.096 176.254 176.300 0.083 0.000 1.350 733 D CA 0.009 54.028 54.000 0.031 0.000 0.863 733 D CB 0.637 41.446 40.800 0.014 0.000 1.064 733 D HN 0.215 nan 8.370 nan 0.000 0.488 734 E N -0.022 120.239 120.200 0.101 0.000 2.676 734 E HA 0.001 4.351 4.350 -0.000 0.000 0.225 734 E C -0.120 176.549 176.600 0.115 0.000 0.944 734 E CA -0.075 56.414 56.400 0.149 0.000 1.156 734 E CB 0.753 30.559 29.700 0.177 0.000 1.117 734 E HN 0.031 nan 8.360 nan 0.000 0.523 735 D N 0.778 121.229 120.400 0.085 0.000 2.723 735 D HA -0.195 4.445 4.640 -0.000 0.000 0.236 735 D C 0.337 176.642 176.300 0.009 0.000 1.138 735 D CA 0.354 54.385 54.000 0.052 0.000 0.676 735 D CB -1.273 39.561 40.800 0.057 0.000 1.069 735 D HN 0.264 nan 8.370 nan 0.000 0.430 736 L N -0.413 120.798 121.223 -0.018 0.000 2.529 736 L HA 0.255 4.595 4.340 -0.000 0.000 0.223 736 L C 1.784 178.464 176.870 -0.316 0.000 1.113 736 L CA 0.400 55.120 54.840 -0.199 0.000 0.861 736 L CB -0.116 41.749 42.059 -0.322 0.000 1.012 736 L HN 0.413 nan 8.230 nan 0.000 0.461 737 G N 1.218 109.935 108.800 -0.138 0.000 2.374 737 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.289 737 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.289 737 G C -0.215 174.590 174.900 -0.158 0.000 1.004 737 G CA -0.288 44.757 45.100 -0.093 0.000 1.292 737 G HN 0.092 nan 8.290 nan 0.000 0.502 738 F N -0.142 119.787 119.950 -0.036 0.000 2.429 738 F HA 0.475 5.002 4.527 -0.000 0.000 0.348 738 F C 1.569 177.356 175.800 -0.021 0.000 1.109 738 F CA -0.571 57.406 58.000 -0.038 0.000 1.232 738 F CB 0.660 39.628 39.000 -0.054 0.000 1.157 738 F HN 0.177 nan 8.300 nan 0.000 0.564 739 L N 2.847 124.164 121.223 0.156 0.000 2.452 739 L HA 0.248 4.588 4.340 -0.000 0.000 0.267 739 L C 1.206 178.139 176.870 0.105 0.000 1.188 739 L CA -0.350 54.550 54.840 0.099 0.000 0.821 739 L CB 0.553 42.658 42.059 0.077 0.000 1.102 739 L HN 0.887 nan 8.230 nan 0.000 0.470 740 A N 3.204 126.068 122.820 0.073 0.000 1.839 740 A HA 0.283 4.602 4.320 -0.000 0.000 0.213 740 A C 1.137 178.758 177.584 0.061 0.000 1.274 740 A CA 1.105 53.178 52.037 0.059 0.000 0.608 740 A CB -0.781 18.246 19.000 0.044 0.000 0.920 740 A HN 1.245 nan 8.150 nan 0.000 0.465 741 A N 0.000 122.854 122.820 0.057 0.000 2.254 741 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 741 A CA 0.000 52.074 52.037 0.061 0.000 0.836 741 A CB 0.000 19.047 19.000 0.078 0.000 0.831 741 A HN 0.000 nan 8.150 nan 0.000 0.486